4-[[(4-methyl-2-nitro-phenyl)carbamothioylamino]methyl]benzoic acid

Systemtic Name: 4-[[(4-methyl-2-nitro-phenyl)carbamothioylamino]methyl]benzoic acid Openeye Name: 4-[[(4-methyl-2-nitro-phenyl)carbamothioylamino]methyl]benzoic acid CAS Name: 4-[[[(4-methyl-2-nitroanilino)-sulfanylidenemethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(4-methyl-2-nitrophenyl)carbamothioylamino]methyl]benzoic acid Traditional Name: 4-[[(4-methyl-2-nitro-phenyl)thiocarbamoylamino]methyl]benzoic acid Formula: C16H15N3O4S MolecularWeight: 345.373

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=S)NCC2=CC=C(C=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=S)NCC2=CC=C(C=C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O4S/c1-10-2-7-13(14(8-10)19(22)23)18-16(24)17-9-11-3-5-12(6-4-11)15(20)21/h2-8H,9H2,1H3,(H,20,21)(H2,17,18,24)