phenacyl N-[(4-methylphenyl)carbamothioylamino]-N'-phenyl-carbamimidothioate

Systemtic Name: phenacyl N-[(4-methylphenyl)carbamothioylamino]-N'-phenyl-carbamimidothioate Openeye Name: 1-[(C-phenacylsulfanyl-N-phenyl-carbonimidoyl)amino]-3-(p-tolyl)thiourea CAS Name: N-[[(4-methylanilino)-sulfanylidenemethyl]amino]-N'-phenylcarbamimidothioic acid phenacyl ester IUPAC Name: phenacyl N-[(4-methylphenyl)carbamothioylamino]-N'-phenylcarbamimidothioate Traditional Name: 1-[[C-(phenacylthio)-N-phenyl-carbonimidoyl]amino]-3-(p-tolyl)thiourea Formula: C23H22N4OS2 MolecularWeight: 434.57698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)NNC(=NC2=CC=CC=C2)SCC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)NNC(=NC2=CC=CC=C2)SCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H22N4OS2/c1-17-12-14-20(15-13-17)24-22(29)26-27-23(25-19-10-6-3-7-11-19)30-16-21(28)18-8-4-2-5-9-18/h2-15H,16H2,1H3,(H,25,27)(H2,24,26,29)