phenethyl 4-[(3-methylphenyl)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: phenethyl 4-[(3-methylphenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-(m-tolylcarbamothioylamino)-4-oxo-butanoate CAS Name: 4-[[(3-methylanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[(3-methylphenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-(m-tolylthiocarbamoylamino)butyric acid phenethyl ester Formula: C20H22N2O3S MolecularWeight: 370.46528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

InChI

InChI=1S/C20H22N2O3S/c1-15-6-5-9-17(14-15)21-20(26)22-18(23)10-11-19(24)25-13-12-16-7-3-2-4-8-16/h2-9,14H,10-13H2,1H3,(H2,21,22,23,26)