[3-[N-(carbamothioylamino)-C-methyl-carbonimidoyl]phenyl] benzoate

Systemtic Name: [3-[N-(carbamothioylamino)-C-methyl-carbonimidoyl]phenyl] benzoate Openeye Name: [3-[N-(carbamothioylamino)-C-methyl-carbonimidoyl]phenyl] benzoate CAS Name: benzoic acid [3-[1-(carbamothioylhydrazinylidene)ethyl]phenyl] ester IUPAC Name: [3-[N-(carbamothioylamino)-C-methylcarbonimidoyl]phenyl] benzoate Traditional Name: benzoic acid [3-(C-methyl-N-thioureido-carbonimidoyl)phenyl] ester Formula: C16H15N3O2S MolecularWeight: 313.3742

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)N)C1=CC(=CC=C1)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(=NNC(=S)N)C1=CC(=CC=C1)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H15N3O2S/c1-11(18-19-16(17)22)13-8-5-9-14(10-13)21-15(20)12-6-3-2-4-7-12/h2-10H,1H3,(H3,17,19,22)