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

Systemtic Name: N-[1-[(3-methylphenyl)methyl]-2-(4-phenylpiperazin-1-yl)carbonyl-pyrrol-3-yl]thiophene-2-carboxamide Openeye Name: N-[1-(m-tolylmethyl)-2-(4-phenylpiperazine-1-carbonyl)pyrrol-3-yl]thiophene-2-carboxamide CAS Name: N-[1-[(3-methylphenyl)methyl]-2-[oxo-(4-phenyl-1-piperazinyl)methyl]-3-pyrrolyl]-2-thiophenecarboxamide IUPAC Name: N-[1-[(3-methylphenyl)methyl]-2-(4-phenylpiperazine-1-carbonyl)pyrrol-3-yl]thiophene-2-carboxamide Traditional Name: N-[1-(3-methylbenzyl)-2-(4-phenylpiperazine-1-carbonyl)pyrrol-3-yl]thiophene-2-carboxamide Formula: C28H28N4O2S MolecularWeight: 484.61252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C=CC(=C2C(=O)N3CCN(CC3)C4=CC=CC=C4)NC(=O)C5=CC=CS5

Isomeric SMILES

CC1=CC(=CC=C1)CN2C=CC(=C2C(=O)N3CCN(CC3)C4=CC=CC=C4)NC(=O)C5=CC=CS5

InChI

InChI=1S/C28H28N4O2S/c1-21-7-5-8-22(19-21)20-32-13-12-24(29-27(33)25-11-6-18-35-25)26(32)28(34)31-16-14-30(15-17-31)23-9-3-2-4-10-23/h2-13,18-19H,14-17,20H2,1H3,(H,29,33)