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

Systemtic Name: 3-(azepan-1-yl)-1-(4-ethoxyphenyl)-4-(4-methylphenyl)sulfanyl-pyrrole-2,5-dione Openeye Name: 3-(azepan-1-yl)-1-(4-ethoxyphenyl)-4-(p-tolylsulfanyl)pyrrole-2,5-dione CAS Name: 3-(1-azepanyl)-1-(4-ethoxyphenyl)-4-[(4-methylphenyl)thio]pyrrole-2,5-dione IUPAC Name: 3-(azepan-1-yl)-1-(4-ethoxyphenyl)-4-(4-methylphenyl)sulfanylpyrrole-2,5-dione Traditional Name: 3-(azepan-1-yl)-1-p-phenetyl-4-(p-tolylthio)-3-pyrroline-2,5-quinone Formula: C25H28N2O3S MolecularWeight: 436.56642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=C(C=C3)C)N4CCCCCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=C(C=C3)C)N4CCCCCC4

InChI

InChI=1S/C25H28N2O3S/c1-3-30-20-12-10-19(11-13-20)27-24(28)22(26-16-6-4-5-7-17-26)23(25(27)29)31-21-14-8-18(2)9-15-21/h8-15H,3-7,16-17H2,1-2H3