N-[1-[(3-methylphenyl)methyl]-2-(4-methylpiperazin-1-yl)carbonyl-pyrrol-3-yl]thiophene-2-carboxamide

Systemtic Name: N-[1-[(3-methylphenyl)methyl]-2-(4-methylpiperazin-1-yl)carbonyl-pyrrol-3-yl]thiophene-2-carboxamide Openeye Name: N-[2-(4-methylpiperazine-1-carbonyl)-1-(m-tolylmethyl)pyrrol-3-yl]thiophene-2-carboxamide CAS Name: N-[1-[(3-methylphenyl)methyl]-2-[(4-methyl-1-piperazinyl)-oxomethyl]-3-pyrrolyl]-2-thiophenecarboxamide IUPAC Name: N-[1-[(3-methylphenyl)methyl]-2-(4-methylpiperazine-1-carbonyl)pyrrol-3-yl]thiophene-2-carboxamide Traditional Name: N-[1-(3-methylbenzyl)-2-(4-methylpiperazine-1-carbonyl)pyrrol-3-yl]thiophene-2-carboxamide Formula: C23H26N4O2S MolecularWeight: 422.54314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C=CC(=C2C(=O)N3CCN(CC3)C)NC(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC(=CC=C1)CN2C=CC(=C2C(=O)N3CCN(CC3)C)NC(=O)C4=CC=CS4

InChI

InChI=1S/C23H26N4O2S/c1-17-5-3-6-18(15-17)16-27-9-8-19(24-22(28)20-7-4-14-30-20)21(27)23(29)26-12-10-25(2)11-13-26/h3-9,14-15H,10-13,16H2,1-2H3,(H,24,28)