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

Systemtic Name: 3-(azepan-1-yl)-4-(4-methylphenyl)sulfanyl-1-phenethyl-pyrrole-2,5-dione Openeye Name: 3-(azepan-1-yl)-1-phenethyl-4-(p-tolylsulfanyl)pyrrole-2,5-dione CAS Name: 3-(1-azepanyl)-4-[(4-methylphenyl)thio]-1-phenethylpyrrole-2,5-dione IUPAC Name: 3-(azepan-1-yl)-4-(4-methylphenyl)sulfanyl-1-phenethylpyrrole-2,5-dione Traditional Name: 3-(azepan-1-yl)-1-phenethyl-4-(p-tolylthio)-3-pyrroline-2,5-quinone Formula: C25H28N2O2S MolecularWeight: 420.56702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C(=O)N(C2=O)CCC3=CC=CC=C3)N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C(=O)N(C2=O)CCC3=CC=CC=C3)N4CCCCCC4

InChI

InChI=1S/C25H28N2O2S/c1-19-11-13-21(14-12-19)30-23-22(26-16-7-2-3-8-17-26)24(28)27(25(23)29)18-15-20-9-5-4-6-10-20/h4-6,9-14H,2-3,7-8,15-18H2,1H3