3-[(4-methoxy-3-nitro-phenyl)carbonylcarbamothioylamino]-2-methyl-benzoic acid

Systemtic Name: 3-[(4-methoxy-3-nitro-phenyl)carbonylcarbamothioylamino]-2-methyl-benzoic acid Openeye Name: 3-[(4-methoxy-3-nitro-benzoyl)carbamothioylamino]-2-methyl-benzoic acid CAS Name: 3-[[[[(4-methoxy-3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-2-methylbenzoic acid IUPAC Name: 3-[(4-methoxy-3-nitrobenzoyl)carbamothioylamino]-2-methylbenzoic acid Traditional Name: 3-[(4-methoxy-3-nitro-benzoyl)thiocarbamoylamino]-2-methyl-benzoic acid Formula: C17H15N3O6S MolecularWeight: 389.3825

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=S)NC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1NC(=S)NC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-])C(=O)O

InChI

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