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

Systemtic Name: 3-(cyclohexylamino)-4-(4-methylphenyl)sulfanyl-1-phenethyl-pyrrole-2,5-dione Openeye Name: 3-(cyclohexylamino)-1-phenethyl-4-(p-tolylsulfanyl)pyrrole-2,5-dione CAS Name: 3-(cyclohexylamino)-4-[(4-methylphenyl)thio]-1-phenethylpyrrole-2,5-dione IUPAC Name: 3-(cyclohexylamino)-4-(4-methylphenyl)sulfanyl-1-phenethylpyrrole-2,5-dione Traditional Name: 3-(cyclohexylamino)-1-phenethyl-4-(p-tolylthio)-3-pyrroline-2,5-quinone Formula: C25H28N2O2S MolecularWeight: 420.56702

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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)NC4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C(=O)N(C2=O)CCC3=CC=CC=C3)NC4CCCCC4

InChI

InChI=1S/C25H28N2O2S/c1-18-12-14-21(15-13-18)30-23-22(26-20-10-6-3-7-11-20)24(28)27(25(23)29)17-16-19-8-4-2-5-9-19/h2,4-5,8-9,12-15,20,26H,3,6-7,10-11,16-17H2,1H3