methyl 3-[(4-methoxyphenyl)methylcarbamothioylamino]benzoate

Systemtic Name: methyl 3-[(4-methoxyphenyl)methylcarbamothioylamino]benzoate Openeye Name: methyl 3-[(4-methoxyphenyl)methylcarbamothioylamino]benzoate CAS Name: 3-[[[(4-methoxyphenyl)methylamino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[(4-methoxyphenyl)methylcarbamothioylamino]benzoate Traditional Name: 3-(p-anisylthiocarbamoylamino)benzoic acid methyl ester Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=S)NC2=CC=CC(=C2)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=S)NC2=CC=CC(=C2)C(=O)OC

InChI

InChI=1S/C17H18N2O3S/c1-21-15-8-6-12(7-9-15)11-18-17(23)19-14-5-3-4-13(10-14)16(20)22-2/h3-10H,11H2,1-2H3,(H2,18,19,23)