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

Systemtic Name: 3-(azepan-1-yl)-4-(4-methylphenyl)sulfanyl-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione Openeye Name: 3-(azepan-1-yl)-1-(4-isopropylphenyl)-4-(p-tolylsulfanyl)pyrrole-2,5-dione CAS Name: 3-(1-azepanyl)-4-[(4-methylphenyl)thio]-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione IUPAC Name: 3-(azepan-1-yl)-4-(4-methylphenyl)sulfanyl-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione Traditional Name: 3-(azepan-1-yl)-1-p-cumenyl-4-(p-tolylthio)-3-pyrroline-2,5-quinone Formula: C26H30N2O2S MolecularWeight: 434.5936

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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)C(C)C)N4CCCCCC4

Isomeric SMILES

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

InChI

InChI=1S/C26H30N2O2S/c1-18(2)20-10-12-21(13-11-20)28-25(29)23(27-16-6-4-5-7-17-27)24(26(28)30)31-22-14-8-19(3)9-15-22/h8-15,18H,4-7,16-17H2,1-3H3