methyl 4-[(2-oxidanylidene-2-pentoxy-ethyl)carbamothioylamino]benzoate

Systemtic Name: methyl 4-[(2-oxidanylidene-2-pentoxy-ethyl)carbamothioylamino]benzoate Openeye Name: methyl 4-[(2-oxo-2-pentoxy-ethyl)carbamothioylamino]benzoate CAS Name: 4-[[[(2-oxo-2-pentoxyethyl)amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-oxo-2-pentoxyethyl)carbamothioylamino]benzoate Traditional Name: 4-[(2-amoxy-2-keto-ethyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C16H22N2O4S MolecularWeight: 338.42188

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)CNC(=S)NC1=CC=C(C=C1)C(=O)OC

Isomeric SMILES

CCCCCOC(=O)CNC(=S)NC1=CC=C(C=C1)C(=O)OC

InChI

InChI=1S/C16H22N2O4S/c1-3-4-5-10-22-14(19)11-17-16(23)18-13-8-6-12(7-9-13)15(20)21-2/h6-9H,3-5,10-11H2,1-2H3,(H2,17,18,23)