3-(azepan-1-yl)-1-(3-chloranyl-4-methyl-phenyl)-4-phenylsulfanyl-pyrrole-2,5-dione

Systemtic Name: 3-(azepan-1-yl)-1-(3-chloranyl-4-methyl-phenyl)-4-phenylsulfanyl-pyrrole-2,5-dione Openeye Name: 3-(azepan-1-yl)-1-(3-chloro-4-methyl-phenyl)-4-phenylsulfanyl-pyrrole-2,5-dione CAS Name: 3-(1-azepanyl)-1-(3-chloro-4-methylphenyl)-4-(phenylthio)pyrrole-2,5-dione IUPAC Name: 3-(azepan-1-yl)-1-(3-chloro-4-methylphenyl)-4-phenylsulfanylpyrrole-2,5-dione Traditional Name: 3-(azepan-1-yl)-1-(3-chloro-4-methyl-phenyl)-4-(phenylthio)-3-pyrroline-2,5-quinone Formula: C23H23ClN2O2S MolecularWeight: 426.95892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=CC=C3)N4CCCCCC4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=CC=C3)N4CCCCCC4)Cl

InChI

InChI=1S/C23H23ClN2O2S/c1-16-11-12-17(15-19(16)24)26-22(27)20(25-13-7-2-3-8-14-25)21(23(26)28)29-18-9-5-4-6-10-18/h4-6,9-12,15H,2-3,7-8,13-14H2,1H3