ethyl 4-[[3-[methyl-(phenylmethyl)carbamoyl]phenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[[3-[methyl-(phenylmethyl)carbamoyl]phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[[3-[benzyl(methyl)carbamoyl]phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[3-[[methyl-(phenylmethyl)amino]-oxomethyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[3-[benzyl(methyl)carbamoyl]phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[3-[benzyl(methyl)carbamoyl]phenyl]thiocarbamoylamino]-4-keto-butyric acid ethyl ester Formula: C22H25N3O4S MolecularWeight: 427.5166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)NC(=S)NC1=CC=CC(=C1)C(=O)N(C)CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CCC(=O)NC(=S)NC1=CC=CC(=C1)C(=O)N(C)CC2=CC=CC=C2

InChI

InChI=1S/C22H25N3O4S/c1-3-29-20(27)13-12-19(26)24-22(30)23-18-11-7-10-17(14-18)21(28)25(2)15-16-8-5-4-6-9-16/h4-11,14H,3,12-13,15H2,1-2H3,(H2,23,24,26,30)