2-methoxyethyl 4-[[2-[methyl-(phenylmethyl)carbamoyl]phenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 2-methoxyethyl 4-[[2-[methyl-(phenylmethyl)carbamoyl]phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 4-[[2-[benzyl(methyl)carbamoyl]phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[2-[[methyl-(phenylmethyl)amino]-oxomethyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[[2-[benzyl(methyl)carbamoyl]phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[2-[benzyl(methyl)carbamoyl]phenyl]thiocarbamoylamino]-4-keto-butyric acid 2-methoxyethyl ester Formula: C23H27N3O5S MolecularWeight: 457.54258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)CCC(=O)OCCOC

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)CCC(=O)OCCOC

InChI

InChI=1S/C23H27N3O5S/c1-26(16-17-8-4-3-5-9-17)22(29)18-10-6-7-11-19(18)24-23(32)25-20(27)12-13-21(28)31-15-14-30-2/h3-11H,12-16H2,1-2H3,(H2,24,25,27,32)