2-[5-[(Z)-N-[(2,6-dimethylphenyl)carbamothioylamino]-C-methyl-carbonimidoyl]-2-methoxy-phenyl]ethanoate

Systemtic Name: 2-[5-[(Z)-N-[(2,6-dimethylphenyl)carbamothioylamino]-C-methyl-carbonimidoyl]-2-methoxy-phenyl]ethanoate Openeye Name: 2-[5-[(Z)-N-[(2,6-dimethylphenyl)carbamothioylamino]-C-methyl-carbonimidoyl]-2-methoxy-phenyl]acetate CAS Name: 2-[5-[(1Z)-1-[[(2,6-dimethylanilino)-sulfanylidenemethyl]hydrazinylidene]ethyl]-2-methoxyphenyl]acetate IUPAC Name: 2-[5-[(Z)-N-[(2,6-dimethylphenyl)carbamothioylamino]-C-methylcarbonimidoyl]-2-methoxyphenyl]acetate Traditional Name: 2-[5-[(Z)-N-[(2,6-dimethylphenyl)thiocarbamoylamino]-C-methyl-carbonimidoyl]-2-methoxy-phenyl]acetate Formula: C20H22N3O3S- MolecularWeight: 384.47198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O3S/c1-12-6-5-7-13(2)19(12)21-20(27)23-22-14(3)15-8-9-17(26-4)16(10-15)11-18(24)25/h5-10H,11H2,1-4H3,(H,24,25)(H2,21,23,27)/p-1/b22-14-