ethyl 3-[(4-methoxy-4-oxidanylidene-butyl)carbamothioylamino]benzoate

Systemtic Name: ethyl 3-[(4-methoxy-4-oxidanylidene-butyl)carbamothioylamino]benzoate Openeye Name: ethyl 3-[(4-methoxy-4-oxo-butyl)carbamothioylamino]benzoate CAS Name: 3-[[[(4-methoxy-4-oxobutyl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(4-methoxy-4-oxobutyl)carbamothioylamino]benzoate Traditional Name: 3-[(4-keto-4-methoxy-butyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C15H20N2O4S MolecularWeight: 324.3953

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=S)NCCCC(=O)OC

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=S)NCCCC(=O)OC

InChI

InChI=1S/C15H20N2O4S/c1-3-21-14(19)11-6-4-7-12(10-11)17-15(22)16-9-5-8-13(18)20-2/h4,6-7,10H,3,5,8-9H2,1-2H3,(H2,16,17,22)