3-(azepan-1-yl)-4-(4-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)pyrrole-2,5-dione

Systemtic Name: 3-(azepan-1-yl)-4-(4-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)pyrrole-2,5-dione Openeye Name: 3-(azepan-1-yl)-4-(4-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)pyrrole-2,5-dione CAS Name: 3-(1-azepanyl)-4-[(4-chlorophenyl)thio]-1-(4-methoxyphenyl)pyrrole-2,5-dione IUPAC Name: 3-(azepan-1-yl)-4-(4-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)pyrrole-2,5-dione Traditional Name: 3-(azepan-1-yl)-4-[(4-chlorophenyl)thio]-1-(4-methoxyphenyl)-3-pyrroline-2,5-quinone Formula: C23H23ClN2O3S MolecularWeight: 442.95832

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=C(C=C3)Cl)N4CCCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=C(C=C3)Cl)N4CCCCCC4

InChI

InChI=1S/C23H23ClN2O3S/c1-29-18-10-8-17(9-11-18)26-22(27)20(25-14-4-2-3-5-15-25)21(23(26)28)30-19-12-6-16(24)7-13-19/h6-13H,2-5,14-15H2,1H3