2-[[(4-methylphenyl)carbamothioylamino]carbamoyl]benzoic acid

Systemtic Name: 2-[[(4-methylphenyl)carbamothioylamino]carbamoyl]benzoic acid Openeye Name: 2-[(p-tolylcarbamothioylamino)carbamoyl]benzoic acid CAS Name: 2-[[[(4-methylanilino)-sulfanylidenemethyl]hydrazo]-oxomethyl]benzoic acid IUPAC Name: 2-[[(4-methylphenyl)carbamothioylamino]carbamoyl]benzoic acid Traditional Name: 2-[(p-tolylthiocarbamoylamino)carbamoyl]benzoic acid Formula: C16H15N3O3S MolecularWeight: 329.3736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O3S/c1-10-6-8-11(9-7-10)17-16(23)19-18-14(20)12-4-2-3-5-13(12)15(21)22/h2-9H,1H3,(H,18,20)(H,21,22)(H2,17,19,23)