methyl 2-methoxy-5-[[(4-nitrophenyl)carbamothioylamino]methyl]benzoate

Systemtic Name: methyl 2-methoxy-5-[[(4-nitrophenyl)carbamothioylamino]methyl]benzoate Openeye Name: methyl 2-methoxy-5-[[(4-nitrophenyl)carbamothioylamino]methyl]benzoate CAS Name: 2-methoxy-5-[[[(4-nitroanilino)-sulfanylidenemethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-methoxy-5-[[(4-nitrophenyl)carbamothioylamino]methyl]benzoate Traditional Name: 2-methoxy-5-[[(4-nitrophenyl)thiocarbamoylamino]methyl]benzoic acid methyl ester Formula: C17H17N3O5S MolecularWeight: 375.39898

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=S)NC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=S)NC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C17H17N3O5S/c1-24-15-8-3-11(9-14(15)16(21)25-2)10-18-17(26)19-12-4-6-13(7-5-12)20(22)23/h3-9H,10H2,1-2H3,(H2,18,19,26)