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

Systemtic Name: 2-[[2-methoxy-5-[(Z)-C-methyl-N-[(phenylmethyl)carbamothioylamino]carbonimidoyl]phenyl]methylsulfanyl]ethanoate Openeye Name: 2-[[5-[(Z)-N-(benzylcarbamothioylamino)-C-methyl-carbonimidoyl]-2-methoxy-phenyl]methylsulfanyl]acetate CAS Name: 2-[[2-methoxy-5-[(1Z)-1-[[[(phenylmethyl)amino]-sulfanylidenemethyl]hydrazinylidene]ethyl]phenyl]methylthio]acetate IUPAC Name: 2-[[5-[(Z)-N-(benzylcarbamothioylamino)-C-methylcarbonimidoyl]-2-methoxyphenyl]methylsulfanyl]acetate Traditional Name: 2-[[5-[(Z)-N-(benzylthiocarbamoylamino)-C-methyl-carbonimidoyl]-2-methoxy-benzyl]thio]acetate Formula: C20H22N3O3S2- MolecularWeight: 416.53698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O3S2/c1-14(22-23-20(27)21-11-15-6-4-3-5-7-15)16-8-9-18(26-2)17(10-16)12-28-13-19(24)25/h3-10H,11-13H2,1-2H3,(H,24,25)(H2,21,23,27)/p-1/b22-14-