2-azanyl-N-[5-[[5-[(3-azanyl-3-azanylidene-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-5-propan-2-yl-1,3-thiazole-4-carboxamide

Systemtic Name: 2-azanyl-N-[5-[[5-[(3-azanyl-3-azanylidene-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-5-propan-2-yl-1,3-thiazole-4-carboxamide Openeye Name: 2-amino-N-[5-[[5-[(3-amino-3-imino-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-5-isopropyl-thiazole-4-carboxamide CAS Name: 2-amino-N-[5-[[[5-[[(3-amino-3-iminopropyl)amino]-oxomethyl]-1-methyl-3-pyrrolyl]amino]-oxomethyl]-1-methyl-3-pyrrolyl]-5-propan-2-yl-4-thiazolecarboxamide IUPAC Name: 2-amino-N-[5-[[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-5-propan-2-yl-1,3-thiazole-4-carboxamide Traditional Name: 2-amino-N-[5-[[5-[(3-amino-3-imino-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-5-isopropyl-thiazole-4-carboxamide Formula: C22H29N9O3S MolecularWeight: 499.58916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(N=C(S1)N)C(=O)NC2=CN(C(=C2)C(=O)NC3=CN(C(=C3)C(=O)NCCC(=N)N)C)C

Isomeric SMILES

CC(C)C1=C(N=C(S1)N)C(=O)NC2=CN(C(=C2)C(=O)NC3=CN(C(=C3)C(=O)NCCC(=N)N)C)C

InChI

InChI=1S/C22H29N9O3S/c1-11(2)18-17(29-22(25)35-18)21(34)28-13-8-15(31(4)10-13)20(33)27-12-7-14(30(3)9-12)19(32)26-6-5-16(23)24/h7-11H,5-6H2,1-4H3,(H3,23,24)(H2,25,29)(H,26,32)(H,27,33)(H,28,34)