3-(azepan-1-yl)-4-(4-methylphenyl)sulfanyl-1-(4-phenoxyphenyl)pyrrole-2,5-dione

Systemtic Name: 3-(azepan-1-yl)-4-(4-methylphenyl)sulfanyl-1-(4-phenoxyphenyl)pyrrole-2,5-dione Openeye Name: 3-(azepan-1-yl)-1-(4-phenoxyphenyl)-4-(p-tolylsulfanyl)pyrrole-2,5-dione CAS Name: 3-(1-azepanyl)-4-[(4-methylphenyl)thio]-1-(4-phenoxyphenyl)pyrrole-2,5-dione IUPAC Name: 3-(azepan-1-yl)-4-(4-methylphenyl)sulfanyl-1-(4-phenoxyphenyl)pyrrole-2,5-dione Traditional Name: 3-(azepan-1-yl)-1-(4-phenoxyphenyl)-4-(p-tolylthio)-3-pyrroline-2,5-quinone Formula: C29H28N2O3S MolecularWeight: 484.60922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C(=O)N(C2=O)C3=CC=C(C=C3)OC4=CC=CC=C4)N5CCCCCC5

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C(=O)N(C2=O)C3=CC=C(C=C3)OC4=CC=CC=C4)N5CCCCCC5

InChI

InChI=1S/C29H28N2O3S/c1-21-11-17-25(18-12-21)35-27-26(30-19-7-2-3-8-20-30)28(32)31(29(27)33)22-13-15-24(16-14-22)34-23-9-5-4-6-10-23/h4-6,9-18H,2-3,7-8,19-20H2,1H3