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

Systemtic Name: 3-[cyclohexyl(methyl)amino]-4-(4-methylphenyl)sulfanyl-1-(4-phenoxyphenyl)pyrrole-2,5-dione Openeye Name: 3-[cyclohexyl(methyl)amino]-1-(4-phenoxyphenyl)-4-(p-tolylsulfanyl)pyrrole-2,5-dione CAS Name: 3-[cyclohexyl(methyl)amino]-4-[(4-methylphenyl)thio]-1-(4-phenoxyphenyl)pyrrole-2,5-dione IUPAC Name: 3-[cyclohexyl(methyl)amino]-4-(4-methylphenyl)sulfanyl-1-(4-phenoxyphenyl)pyrrole-2,5-dione Traditional Name: 3-[cyclohexyl(methyl)amino]-1-(4-phenoxyphenyl)-4-(p-tolylthio)-3-pyrroline-2,5-quinone Formula: C30H30N2O3S MolecularWeight: 498.6358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C(=O)N(C2=O)C3=CC=C(C=C3)OC4=CC=CC=C4)N(C)C5CCCCC5

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C(=O)N(C2=O)C3=CC=C(C=C3)OC4=CC=CC=C4)N(C)C5CCCCC5

InChI

InChI=1S/C30H30N2O3S/c1-21-13-19-26(20-14-21)36-28-27(31(2)22-9-5-3-6-10-22)29(33)32(30(28)34)23-15-17-25(18-16-23)35-24-11-7-4-8-12-24/h4,7-8,11-20,22H,3,5-6,9-10H2,1-2H3