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

Systemtic Name: 2-[[2-[[(2-methylphenyl)carbonyl-propyl-amino]methyl]pyrrol-1-yl]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide Openeye Name: N-isopropyl-2-[[2-[[(2-methylbenzoyl)-propyl-amino]methyl]pyrrol-1-yl]methyl]thiazole-4-carboxamide CAS Name: 2-[[2-[[[(2-methylphenyl)-oxomethyl]-propylamino]methyl]-1-pyrrolyl]methyl]-N-propan-2-yl-4-thiazolecarboxamide IUPAC Name: 2-[[2-[[(2-methylbenzoyl)-propylamino]methyl]pyrrol-1-yl]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide Traditional Name: N-isopropyl-2-[[2-[[o-toluoyl(propyl)amino]methyl]pyrrol-1-yl]methyl]thiazole-4-carboxamide Formula: C24H30N4O2S MolecularWeight: 438.5856

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=CN1CC2=NC(=CS2)C(=O)NC(C)C)C(=O)C3=CC=CC=C3C

Isomeric SMILES

CCCN(CC1=CC=CN1CC2=NC(=CS2)C(=O)NC(C)C)C(=O)C3=CC=CC=C3C

InChI

InChI=1S/C24H30N4O2S/c1-5-12-28(24(30)20-11-7-6-9-18(20)4)14-19-10-8-13-27(19)15-22-26-21(16-31-22)23(29)25-17(2)3/h6-11,13,16-17H,5,12,14-15H2,1-4H3,(H,25,29)