methyl 4-methyl-3-[(4-nitrophenyl)carbamothioylamino]benzoate

Systemtic Name: methyl 4-methyl-3-[(4-nitrophenyl)carbamothioylamino]benzoate Openeye Name: methyl 4-methyl-3-[(4-nitrophenyl)carbamothioylamino]benzoate CAS Name: 4-methyl-3-[[(4-nitroanilino)-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[(4-nitrophenyl)carbamothioylamino]benzoate Traditional Name: 4-methyl-3-[(4-nitrophenyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C16H15N3O4S MolecularWeight: 345.373

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O4S/c1-10-3-4-11(15(20)23-2)9-14(10)18-16(24)17-12-5-7-13(8-6-12)19(21)22/h3-9H,1-2H3,(H2,17,18,24)