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

Systemtic Name: 2-[[2-[[(2-methylphenyl)carbonyl-propyl-amino]methyl]pyrrol-1-yl]methyl]-N-phenethyl-1,3-thiazole-4-carboxamide Openeye Name: 2-[[2-[[(2-methylbenzoyl)-propyl-amino]methyl]pyrrol-1-yl]methyl]-N-phenethyl-thiazole-4-carboxamide CAS Name: 2-[[2-[[[(2-methylphenyl)-oxomethyl]-propylamino]methyl]-1-pyrrolyl]methyl]-N-phenethyl-4-thiazolecarboxamide IUPAC Name: 2-[[2-[[(2-methylbenzoyl)-propylamino]methyl]pyrrol-1-yl]methyl]-N-phenethyl-1,3-thiazole-4-carboxamide Traditional Name: 2-[[2-[[o-toluoyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-phenethyl-thiazole-4-carboxamide Formula: C29H32N4O2S MolecularWeight: 500.65498

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=CN1CC2=NC(=CS2)C(=O)NCCC3=CC=CC=C3)C(=O)C4=CC=CC=C4C

Isomeric SMILES

CCCN(CC1=CC=CN1CC2=NC(=CS2)C(=O)NCCC3=CC=CC=C3)C(=O)C4=CC=CC=C4C

InChI

InChI=1S/C29H32N4O2S/c1-3-17-33(29(35)25-14-8-7-10-22(25)2)19-24-13-9-18-32(24)20-27-31-26(21-36-27)28(34)30-16-15-23-11-5-4-6-12-23/h4-14,18,21H,3,15-17,19-20H2,1-2H3,(H,30,34)