ethyl 3-[(6-methoxy-6-oxidanylidene-hexyl)carbamothioylamino]benzoate

Systemtic Name: ethyl 3-[(6-methoxy-6-oxidanylidene-hexyl)carbamothioylamino]benzoate Openeye Name: ethyl 3-[(6-methoxy-6-oxo-hexyl)carbamothioylamino]benzoate CAS Name: 3-[[[(6-methoxy-6-oxohexyl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(6-methoxy-6-oxohexyl)carbamothioylamino]benzoate Traditional Name: 3-[(6-keto-6-methoxy-hexyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C17H24N2O4S MolecularWeight: 352.44846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O4S/c1-3-23-16(21)13-8-7-9-14(12-13)19-17(24)18-11-6-4-5-10-15(20)22-2/h7-9,12H,3-6,10-11H2,1-2H3,(H2,18,19,24)