N-[2-(2,4-dichlorophenyl)ethyl]-2-[[2-[[(4-methylphenyl)carbonyl-propyl-amino]methyl]pyrrol-1-yl]methyl]-1,3-thiazole-4-carboxamide

Systemtic Name: N-[2-(2,4-dichlorophenyl)ethyl]-2-[[2-[[(4-methylphenyl)carbonyl-propyl-amino]methyl]pyrrol-1-yl]methyl]-1,3-thiazole-4-carboxamide Openeye Name: N-[2-(2,4-dichlorophenyl)ethyl]-2-[[2-[[(4-methylbenzoyl)-propyl-amino]methyl]pyrrol-1-yl]methyl]thiazole-4-carboxamide CAS Name: N-[2-(2,4-dichlorophenyl)ethyl]-2-[[2-[[[(4-methylphenyl)-oxomethyl]-propylamino]methyl]-1-pyrrolyl]methyl]-4-thiazolecarboxamide IUPAC Name: N-[2-(2,4-dichlorophenyl)ethyl]-2-[[2-[[(4-methylbenzoyl)-propylamino]methyl]pyrrol-1-yl]methyl]-1,3-thiazole-4-carboxamide Traditional Name: N-[2-(2,4-dichlorophenyl)ethyl]-2-[[2-[[propyl(p-toluoyl)amino]methyl]pyrrol-1-yl]methyl]thiazole-4-carboxamide Formula: C29H30Cl2N4O2S MolecularWeight: 569.5451

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=CN1CC2=NC(=CS2)C(=O)NCCC3=C(C=C(C=C3)Cl)Cl)C(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCCN(CC1=CC=CN1CC2=NC(=CS2)C(=O)NCCC3=C(C=C(C=C3)Cl)Cl)C(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C29H30Cl2N4O2S/c1-3-14-35(29(37)22-8-6-20(2)7-9-22)17-24-5-4-15-34(24)18-27-33-26(19-38-27)28(36)32-13-12-21-10-11-23(30)16-25(21)31/h4-11,15-16,19H,3,12-14,17-18H2,1-2H3,(H,32,36)