2-[2-methoxy-5-[(Z)-C-methyl-N-[(phenylmethyl)carbamothioylamino]carbonimidoyl]phenyl]ethanoate

Systemtic Name: 2-[2-methoxy-5-[(Z)-C-methyl-N-[(phenylmethyl)carbamothioylamino]carbonimidoyl]phenyl]ethanoate Openeye Name: 2-[5-[(Z)-N-(benzylcarbamothioylamino)-C-methyl-carbonimidoyl]-2-methoxy-phenyl]acetate CAS Name: 2-[2-methoxy-5-[(1Z)-1-[[[(phenylmethyl)amino]-sulfanylidenemethyl]hydrazinylidene]ethyl]phenyl]acetate IUPAC Name: 2-[5-[(Z)-N-(benzylcarbamothioylamino)-C-methylcarbonimidoyl]-2-methoxyphenyl]acetate Traditional Name: 2-[5-[(Z)-N-(benzylthiocarbamoylamino)-C-methyl-carbonimidoyl]-2-methoxy-phenyl]acetate Formula: C19H20N3O3S- MolecularWeight: 370.4454

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NCC1=CC=CC=C1)C2=CC(=C(C=C2)OC)CC(=O)[O-]

Isomeric SMILES

C/C(=N/NC(=S)NCC1=CC=CC=C1)/C2=CC(=C(C=C2)OC)CC(=O)[O-]

InChI

InChI=1S/C19H21N3O3S/c1-13(15-8-9-17(25-2)16(10-15)11-18(23)24)21-22-19(26)20-12-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,23,24)(H2,20,22,26)/p-1/b21-13-