2-[[(3,4-dichlorophenyl)carbamoyl-propan-2-yl-amino]methyl]-N-pentyl-1,3-thiazole-4-carboxamide

Systemtic Name: 2-[[(3,4-dichlorophenyl)carbamoyl-propan-2-yl-amino]methyl]-N-pentyl-1,3-thiazole-4-carboxamide Openeye Name: 2-[[(3,4-dichlorophenyl)carbamoyl-isopropyl-amino]methyl]-N-pentyl-thiazole-4-carboxamide CAS Name: 2-[[[(3,4-dichloroanilino)-oxomethyl]-propan-2-ylamino]methyl]-N-pentyl-4-thiazolecarboxamide IUPAC Name: 2-[[(3,4-dichlorophenyl)carbamoyl-propan-2-ylamino]methyl]-N-pentyl-1,3-thiazole-4-carboxamide Traditional Name: N-amyl-2-[[(3,4-dichlorophenyl)carbamoyl-isopropyl-amino]methyl]thiazole-4-carboxamide Formula: C20H26Cl2N4O2S MolecularWeight: 457.41704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C1=CSC(=N1)CN(C(C)C)C(=O)NC2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

CCCCCNC(=O)C1=CSC(=N1)CN(C(C)C)C(=O)NC2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C20H26Cl2N4O2S/c1-4-5-6-9-23-19(27)17-12-29-18(25-17)11-26(13(2)3)20(28)24-14-7-8-15(21)16(22)10-14/h7-8,10,12-13H,4-6,9,11H2,1-3H3,(H,23,27)(H,24,28)