O-[N'-(phenylcarbonyl)carbamimidoyl] N-(3-methylphenyl)carbamothioate

Systemtic Name: O-[N'-(phenylcarbonyl)carbamimidoyl] N-(3-methylphenyl)carbamothioate Openeye Name: O-(N'-benzoylcarbamimidoyl) N-(m-tolyl)carbamothioate CAS Name: N-(3-methylphenyl)carbamothioic acid O-[amino(benzoylimino)methyl] ester IUPAC Name: O-(N'-benzoylcarbamimidoyl) N-(3-methylphenyl)carbamothioate Traditional Name: N-(m-tolyl)thiocarbamic acid O-(N'-benzoylamidino) ester Formula: C16H15N3O2S MolecularWeight: 313.3742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)OC(=NC(=O)C2=CC=CC=C2)N

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)OC(=NC(=O)C2=CC=CC=C2)N

InChI

InChI=1S/C16H15N3O2S/c1-11-6-5-9-13(10-11)18-16(22)21-15(17)19-14(20)12-7-3-2-4-8-12/h2-10H,1H3,(H,18,22)(H2,17,19,20)