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

Systemtic Name: 3-(azepan-1-yl)-4-(4-methylphenyl)sulfanyl-1-(phenylmethyl)pyrrole-2,5-dione Openeye Name: 3-(azepan-1-yl)-1-benzyl-4-(p-tolylsulfanyl)pyrrole-2,5-dione CAS Name: 3-(1-azepanyl)-4-[(4-methylphenyl)thio]-1-(phenylmethyl)pyrrole-2,5-dione IUPAC Name: 3-(azepan-1-yl)-1-benzyl-4-(4-methylphenyl)sulfanylpyrrole-2,5-dione Traditional Name: 3-(azepan-1-yl)-1-benzyl-4-(p-tolylthio)-3-pyrroline-2,5-quinone Formula: C24H26N2O2S MolecularWeight: 406.54044

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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)N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C(=O)N(C2=O)CC3=CC=CC=C3)N4CCCCCC4

InChI

InChI=1S/C24H26N2O2S/c1-18-11-13-20(14-12-18)29-22-21(25-15-7-2-3-8-16-25)23(27)26(24(22)28)17-19-9-5-4-6-10-19/h4-6,9-14H,2-3,7-8,15-17H2,1H3