propan-2-yl 4-methylsulfanyl-2-[(2-phenylphenyl)carbamothioylamino]butanoate

Systemtic Name: propan-2-yl 4-methylsulfanyl-2-[(2-phenylphenyl)carbamothioylamino]butanoate Openeye Name: isopropyl 4-methylsulfanyl-2-[(2-phenylphenyl)carbamothioylamino]butanoate CAS Name: 4-(methylthio)-2-[[(2-phenylanilino)-sulfanylidenemethyl]amino]butanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-methylsulfanyl-2-[(2-phenylphenyl)carbamothioylamino]butanoate Traditional Name: 4-(methylthio)-2-[(2-phenylphenyl)thiocarbamoylamino]butyric acid isopropyl ester Formula: C21H26N2O2S2 MolecularWeight: 402.57334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(CCSC)NC(=S)NC1=CC=CC=C1C2=CC=CC=C2

Isomeric SMILES

CC(C)OC(=O)C(CCSC)NC(=S)NC1=CC=CC=C1C2=CC=CC=C2

InChI

InChI=1S/C21H26N2O2S2/c1-15(2)25-20(24)19(13-14-27-3)23-21(26)22-18-12-8-7-11-17(18)16-9-5-4-6-10-16/h4-12,15,19H,13-14H2,1-3H3,(H2,22,23,26)