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

Systemtic Name: 3-[(4-methoxy-3-nitro-phenyl)carbonylcarbamothioylamino]-4-methyl-benzoate Openeye Name: 3-[(4-methoxy-3-nitro-benzoyl)carbamothioylamino]-4-methyl-benzoate CAS Name: 3-[[[[(4-methoxy-3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-methylbenzoate IUPAC Name: 3-[(4-methoxy-3-nitrobenzoyl)carbamothioylamino]-4-methylbenzoate Traditional Name: 3-[(4-methoxy-3-nitro-benzoyl)thiocarbamoylamino]-4-methyl-benzoate Formula: C17H14N3O6S- MolecularWeight: 388.37456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O6S/c1-9-3-4-11(16(22)23)7-12(9)18-17(27)19-15(21)10-5-6-14(26-2)13(8-10)20(24)25/h3-8H,1-2H3,(H,22,23)(H2,18,19,21,27)/p-1