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

Systemtic Name: phenethyl 4-[(3-acetamidophenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[(3-acetamidophenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(3-acetamidoanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[(3-acetamidophenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(3-acetamidophenyl)thiocarbamoylamino]-4-keto-butyric acid phenethyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

Isomeric SMILES

CC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

InChI

InChI=1S/C21H23N3O4S/c1-15(25)22-17-8-5-9-18(14-17)23-21(29)24-19(26)10-11-20(27)28-13-12-16-6-3-2-4-7-16/h2-9,14H,10-13H2,1H3,(H,22,25)(H2,23,24,26,29)