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

Systemtic Name: 3-(azepan-1-yl)-1-(4-methoxyphenyl)-4-phenylsulfanyl-pyrrole-2,5-dione Openeye Name: 3-(azepan-1-yl)-1-(4-methoxyphenyl)-4-phenylsulfanyl-pyrrole-2,5-dione CAS Name: 3-(1-azepanyl)-1-(4-methoxyphenyl)-4-(phenylthio)pyrrole-2,5-dione IUPAC Name: 3-(azepan-1-yl)-1-(4-methoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione Traditional Name: 3-(azepan-1-yl)-1-(4-methoxyphenyl)-4-(phenylthio)-3-pyrroline-2,5-quinone Formula: C23H24N2O3S MolecularWeight: 408.51326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N2O3S/c1-28-18-13-11-17(12-14-18)25-22(26)20(24-15-7-2-3-8-16-24)21(23(25)27)29-19-9-5-4-6-10-19/h4-6,9-14H,2-3,7-8,15-16H2,1H3