2-methoxyethyl 4-[(3-acetamidophenyl)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 2-methoxyethyl 4-[(3-acetamidophenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 4-[(3-acetamidophenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(3-acetamidoanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[(3-acetamidophenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(3-acetamidophenyl)thiocarbamoylamino]-4-keto-butyric acid 2-methoxyethyl ester Formula: C16H21N3O5S MolecularWeight: 367.42004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)CCC(=O)OCCOC

Isomeric SMILES

CC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)CCC(=O)OCCOC

InChI

InChI=1S/C16H21N3O5S/c1-11(20)17-12-4-3-5-13(10-12)18-16(25)19-14(21)6-7-15(22)24-9-8-23-2/h3-5,10H,6-9H2,1-2H3,(H,17,20)(H2,18,19,21,25)