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

Systemtic Name: 3-[cyclohexyl(methyl)amino]-1-(4-ethylphenyl)-4-phenylsulfanyl-pyrrole-2,5-dione Openeye Name: 3-[cyclohexyl(methyl)amino]-1-(4-ethylphenyl)-4-phenylsulfanyl-pyrrole-2,5-dione CAS Name: 3-[cyclohexyl(methyl)amino]-1-(4-ethylphenyl)-4-(phenylthio)pyrrole-2,5-dione IUPAC Name: 3-[cyclohexyl(methyl)amino]-1-(4-ethylphenyl)-4-phenylsulfanylpyrrole-2,5-dione Traditional Name: 3-[cyclohexyl(methyl)amino]-1-(4-ethylphenyl)-4-(phenylthio)-3-pyrroline-2,5-quinone Formula: C25H28N2O2S MolecularWeight: 420.56702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=CC=C3)N(C)C4CCCCC4

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=CC=C3)N(C)C4CCCCC4

InChI

InChI=1S/C25H28N2O2S/c1-3-18-14-16-20(17-15-18)27-24(28)22(26(2)19-10-6-4-7-11-19)23(25(27)29)30-21-12-8-5-9-13-21/h5,8-9,12-17,19H,3-4,6-7,10-11H2,1-2H3