1-(4-butylphenyl)-3-[cyclohexyl(methyl)amino]-4-phenylsulfanyl-pyrrole-2,5-dione

Systemtic Name: 1-(4-butylphenyl)-3-[cyclohexyl(methyl)amino]-4-phenylsulfanyl-pyrrole-2,5-dione Openeye Name: 1-(4-butylphenyl)-3-[cyclohexyl(methyl)amino]-4-phenylsulfanyl-pyrrole-2,5-dione CAS Name: 1-(4-butylphenyl)-3-[cyclohexyl(methyl)amino]-4-(phenylthio)pyrrole-2,5-dione IUPAC Name: 1-(4-butylphenyl)-3-[cyclohexyl(methyl)amino]-4-phenylsulfanylpyrrole-2,5-dione Traditional Name: 1-(4-butylphenyl)-3-[cyclohexyl(methyl)amino]-4-(phenylthio)-3-pyrroline-2,5-quinone Formula: C27H32N2O2S MolecularWeight: 448.62018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=CC=C3)N(C)C4CCCCC4

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=CC=C3)N(C)C4CCCCC4

InChI

InChI=1S/C27H32N2O2S/c1-3-4-11-20-16-18-22(19-17-20)29-26(30)24(28(2)21-12-7-5-8-13-21)25(27(29)31)32-23-14-9-6-10-15-23/h6,9-10,14-19,21H,3-5,7-8,11-13H2,1-2H3