methyl 4-[(3-methyl-4-nitro-phenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: methyl 4-[(3-methyl-4-nitro-phenyl)carbonylcarbamothioylamino]benzoate Openeye Name: methyl 4-[(3-methyl-4-nitro-benzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(3-methyl-4-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(3-methyl-4-nitrobenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(3-methyl-4-nitro-benzoyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C17H15N3O5S MolecularWeight: 373.3831

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O5S/c1-10-9-12(5-8-14(10)20(23)24)15(21)19-17(26)18-13-6-3-11(4-7-13)16(22)25-2/h3-9H,1-2H3,(H2,18,19,21,26)