3-(4-methylphenyl)sulfanyl-1-(phenylmethyl)-4-[(4-propan-2-ylphenyl)amino]pyrrole-2,5-dione

Systemtic Name: 3-(4-methylphenyl)sulfanyl-1-(phenylmethyl)-4-[(4-propan-2-ylphenyl)amino]pyrrole-2,5-dione Openeye Name: 1-benzyl-3-(4-isopropylanilino)-4-(p-tolylsulfanyl)pyrrole-2,5-dione CAS Name: 3-[(4-methylphenyl)thio]-1-(phenylmethyl)-4-(4-propan-2-ylanilino)pyrrole-2,5-dione IUPAC Name: 1-benzyl-3-(4-methylphenyl)sulfanyl-4-(4-propan-2-ylanilino)pyrrole-2,5-dione Traditional Name: 1-benzyl-3-cumidino-4-(p-tolylthio)-3-pyrroline-2,5-quinone Formula: C27H26N2O2S MolecularWeight: 442.57254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C(=O)N(C2=O)CC3=CC=CC=C3)NC4=CC=C(C=C4)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C(=O)N(C2=O)CC3=CC=CC=C3)NC4=CC=C(C=C4)C(C)C

InChI

InChI=1S/C27H26N2O2S/c1-18(2)21-11-13-22(14-12-21)28-24-25(32-23-15-9-19(3)10-16-23)27(31)29(26(24)30)17-20-7-5-4-6-8-20/h4-16,18,28H,17H2,1-3H3