2-[[2-methoxy-5-[(Z)-C-methyl-N-[(4-methylphenyl)carbamothioylamino]carbonimidoyl]phenyl]methylsulfanyl]ethanoate

Systemtic Name: 2-[[2-methoxy-5-[(Z)-C-methyl-N-[(4-methylphenyl)carbamothioylamino]carbonimidoyl]phenyl]methylsulfanyl]ethanoate Openeye Name: 2-[[2-methoxy-5-[(Z)-C-methyl-N-(p-tolylcarbamothioylamino)carbonimidoyl]phenyl]methylsulfanyl]acetate CAS Name: 2-[[2-methoxy-5-[(1Z)-1-[[(4-methylanilino)-sulfanylidenemethyl]hydrazinylidene]ethyl]phenyl]methylthio]acetate IUPAC Name: 2-[[2-methoxy-5-[(Z)-C-methyl-N-[(4-methylphenyl)carbamothioylamino]carbonimidoyl]phenyl]methylsulfanyl]acetate Traditional Name: 2-[[2-methoxy-5-[(Z)-C-methyl-N-(p-tolylthiocarbamoylamino)carbonimidoyl]benzyl]thio]acetate Formula: C20H22N3O3S2- MolecularWeight: 416.53698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)NN=C(C)C2=CC(=C(C=C2)OC)CSCC(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)N/N=C(/C)\C2=CC(=C(C=C2)OC)CSCC(=O)[O-]

InChI

InChI=1S/C20H23N3O3S2/c1-13-4-7-17(8-5-13)21-20(27)23-22-14(2)15-6-9-18(26-3)16(10-15)11-28-12-19(24)25/h4-10H,11-12H2,1-3H3,(H,24,25)(H2,21,23,27)/p-1/b22-14-