methyl 4,5-dimethoxy-2-[(phenylmethyl)carbamothioylamino]benzoate

Systemtic Name: methyl 4,5-dimethoxy-2-[(phenylmethyl)carbamothioylamino]benzoate Openeye Name: methyl 2-(benzylcarbamothioylamino)-4,5-dimethoxy-benzoate CAS Name: 4,5-dimethoxy-2-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-(benzylcarbamothioylamino)-4,5-dimethoxybenzoate Traditional Name: 2-(benzylthiocarbamoylamino)-4,5-dimethoxy-benzoic acid methyl ester Formula: C18H20N2O4S MolecularWeight: 360.4274

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC(=S)NCC2=CC=CC=C2)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=S)NCC2=CC=CC=C2)OC

InChI

InChI=1S/C18H20N2O4S/c1-22-15-9-13(17(21)24-3)14(10-16(15)23-2)20-18(25)19-11-12-7-5-4-6-8-12/h4-10H,11H2,1-3H3,(H2,19,20,25)