3-[cyclohexyl(methyl)amino]-4-(4-methylphenyl)sulfanyl-1-phenethyl-pyrrole-2,5-dione

Systemtic Name: 3-[cyclohexyl(methyl)amino]-4-(4-methylphenyl)sulfanyl-1-phenethyl-pyrrole-2,5-dione Openeye Name: 3-[cyclohexyl(methyl)amino]-1-phenethyl-4-(p-tolylsulfanyl)pyrrole-2,5-dione CAS Name: 3-[cyclohexyl(methyl)amino]-4-[(4-methylphenyl)thio]-1-phenethylpyrrole-2,5-dione IUPAC Name: 3-[cyclohexyl(methyl)amino]-4-(4-methylphenyl)sulfanyl-1-phenethylpyrrole-2,5-dione Traditional Name: 3-[cyclohexyl(methyl)amino]-1-phenethyl-4-(p-tolylthio)-3-pyrroline-2,5-quinone Formula: C26H30N2O2S MolecularWeight: 434.5936

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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)N(C)C4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C(=O)N(C2=O)CCC3=CC=CC=C3)N(C)C4CCCCC4

InChI

InChI=1S/C26H30N2O2S/c1-19-13-15-22(16-14-19)31-24-23(27(2)21-11-7-4-8-12-21)25(29)28(26(24)30)18-17-20-9-5-3-6-10-20/h3,5-6,9-10,13-16,21H,4,7-8,11-12,17-18H2,1-2H3