2-[(E)-N-(carbamothioylamino)-C-(3,4-dimethylphenyl)carbonimidoyl]benzoic acid

Systemtic Name: 2-[(E)-N-(carbamothioylamino)-C-(3,4-dimethylphenyl)carbonimidoyl]benzoic acid Openeye Name: 2-[(E)-N-(carbamothioylamino)-C-(3,4-dimethylphenyl)carbonimidoyl]benzoic acid CAS Name: 2-[(E)-(carbamothioylhydrazinylidene)-(3,4-dimethylphenyl)methyl]benzoic acid IUPAC Name: 2-[(E)-N-(carbamothioylamino)-C-(3,4-dimethylphenyl)carbonimidoyl]benzoic acid Traditional Name: 2-[(E)-C-(3,4-dimethylphenyl)-N-thioureido-carbonimidoyl]benzoic acid Formula: C17H17N3O2S MolecularWeight: 327.40078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=NNC(=S)N)C2=CC=CC=C2C(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)/C(=N\NC(=S)N)/C2=CC=CC=C2C(=O)O)C

InChI

InChI=1S/C17H17N3O2S/c1-10-7-8-12(9-11(10)2)15(19-20-17(18)23)13-5-3-4-6-14(13)16(21)22/h3-9H,1-2H3,(H,21,22)(H3,18,20,23)/b19-15+