methyl 2-[(2-methoxy-4-nitro-phenyl)carbamothioylamino]benzoate

Systemtic Name: methyl 2-[(2-methoxy-4-nitro-phenyl)carbamothioylamino]benzoate Openeye Name: methyl 2-[(2-methoxy-4-nitro-phenyl)carbamothioylamino]benzoate CAS Name: 2-[[(2-methoxy-4-nitroanilino)-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[(2-methoxy-4-nitrophenyl)carbamothioylamino]benzoate Traditional Name: 2-[(2-methoxy-4-nitro-phenyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C16H15N3O5S MolecularWeight: 361.3724

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC2=CC=CC=C2C(=O)OC

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC2=CC=CC=C2C(=O)OC

InChI

InChI=1S/C16H15N3O5S/c1-23-14-9-10(19(21)22)7-8-13(14)18-16(25)17-12-6-4-3-5-11(12)15(20)24-2/h3-9H,1-2H3,(H2,17,18,25)