N-[5-[[5-[(3-azanyl-3-azanylidene-propyl)carbamoyl]-1-methyl-pyrazol-3-yl]carbamoyl]-1-methyl-pyrazol-3-yl]-2-[bis(2-chloroethyl)amino-(phenylcarbonyl)amino]-1,3-thiazole-4-carboxamide

Systemtic Name: N-[5-[[5-[(3-azanyl-3-azanylidene-propyl)carbamoyl]-1-methyl-pyrazol-3-yl]carbamoyl]-1-methyl-pyrazol-3-yl]-2-[bis(2-chloroethyl)amino-(phenylcarbonyl)amino]-1,3-thiazole-4-carboxamide Openeye Name: N-[5-[[5-[(3-amino-3-imino-propyl)carbamoyl]-1-methyl-pyrazol-3-yl]carbamoyl]-1-methyl-pyrazol-3-yl]-2-[benzoyl-[bis(2-chloroethyl)amino]amino]thiazole-4-carboxamide CAS Name: N-[5-[[[5-[[(3-amino-3-iminopropyl)amino]-oxomethyl]-1-methyl-3-pyrazolyl]amino]-oxomethyl]-1-methyl-3-pyrazolyl]-2-[benzoyl-[bis(2-chloroethyl)amino]amino]-4-thiazolecarboxamide IUPAC Name: N-[5-[[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrazol-3-yl]carbamoyl]-1-methylpyrazol-3-yl]-2-[benzoyl-[bis(2-chloroethyl)amino]amino]-1,3-thiazole-4-carboxamide Traditional Name: N-[5-[[5-[(3-amino-3-imino-propyl)carbamoyl]-1-methyl-pyrazol-3-yl]carbamoyl]-1-methyl-pyrazol-3-yl]-2-[benzoyl-[bis(2-chloroethyl)amino]amino]thiazole-4-carboxamide Formula: C28H32Cl2N12O4S MolecularWeight: 703.60268

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=N1)NC(=O)C2=CC(=NN2C)NC(=O)C3=CSC(=N3)N(C(=O)C4=CC=CC=C4)N(CCCl)CCCl)C(=O)NCCC(=N)N

Isomeric SMILES

CN1C(=CC(=N1)NC(=O)C2=CC(=NN2C)NC(=O)C3=CSC(=N3)N(C(=O)C4=CC=CC=C4)N(CCCl)CCCl)C(=O)NCCC(=N)N

InChI

InChI=1S/C28H32Cl2N12O4S/c1-39-19(25(44)33-11-8-21(31)32)14-23(38-39)36-26(45)20-15-22(37-40(20)2)35-24(43)18-16-47-28(34-18)42(41(12-9-29)13-10-30)27(46)17-6-4-3-5-7-17/h3-7,14-16H,8-13H2,1-2H3,(H3,31,32)(H,33,44)(H,35,37,43)(H,36,38,45)