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

Systemtic Name: N-butyl-2-[[2-[[(2-methylphenyl)carbonyl-propyl-amino]methyl]pyrrol-1-yl]methyl]-1,3-thiazole-4-carboxamide Openeye Name: N-butyl-2-[[2-[[(2-methylbenzoyl)-propyl-amino]methyl]pyrrol-1-yl]methyl]thiazole-4-carboxamide CAS Name: N-butyl-2-[[2-[[[(2-methylphenyl)-oxomethyl]-propylamino]methyl]-1-pyrrolyl]methyl]-4-thiazolecarboxamide IUPAC Name: N-butyl-2-[[2-[[(2-methylbenzoyl)-propylamino]methyl]pyrrol-1-yl]methyl]-1,3-thiazole-4-carboxamide Traditional Name: N-butyl-2-[[2-[[o-toluoyl(propyl)amino]methyl]pyrrol-1-yl]methyl]thiazole-4-carboxamide Formula: C25H32N4O2S MolecularWeight: 452.61218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CSC(=N1)CN2C=CC=C2CN(CCC)C(=O)C3=CC=CC=C3C

Isomeric SMILES

CCCCNC(=O)C1=CSC(=N1)CN2C=CC=C2CN(CCC)C(=O)C3=CC=CC=C3C

InChI

InChI=1S/C25H32N4O2S/c1-4-6-13-26-24(30)22-18-32-23(27-22)17-28-15-9-11-20(28)16-29(14-5-2)25(31)21-12-8-7-10-19(21)3/h7-12,15,18H,4-6,13-14,16-17H2,1-3H3,(H,26,30)