3-(cyclohexylamino)-4-(4-methylphenyl)sulfanyl-1-(phenylmethyl)pyrrole-2,5-dione

Systemtic Name: 3-(cyclohexylamino)-4-(4-methylphenyl)sulfanyl-1-(phenylmethyl)pyrrole-2,5-dione Openeye Name: 1-benzyl-3-(cyclohexylamino)-4-(p-tolylsulfanyl)pyrrole-2,5-dione CAS Name: 3-(cyclohexylamino)-4-[(4-methylphenyl)thio]-1-(phenylmethyl)pyrrole-2,5-dione IUPAC Name: 1-benzyl-3-(cyclohexylamino)-4-(4-methylphenyl)sulfanylpyrrole-2,5-dione Traditional Name: 1-benzyl-3-(cyclohexylamino)-4-(p-tolylthio)-3-pyrroline-2,5-quinone Formula: C24H26N2O2S MolecularWeight: 406.54044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C(=O)N(C2=O)CC3=CC=CC=C3)NC4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C(=O)N(C2=O)CC3=CC=CC=C3)NC4CCCCC4

InChI

InChI=1S/C24H26N2O2S/c1-17-12-14-20(15-13-17)29-22-21(25-19-10-6-3-7-11-19)23(27)26(24(22)28)16-18-8-4-2-5-9-18/h2,4-5,8-9,12-15,19,25H,3,6-7,10-11,16H2,1H3