5-[(Z)-N-[(3,4-dimethoxyphenyl)carbamothioylamino]-C-methyl-carbonimidoyl]thiophene-2-carboxylate

Systemtic Name: 5-[(Z)-N-[(3,4-dimethoxyphenyl)carbamothioylamino]-C-methyl-carbonimidoyl]thiophene-2-carboxylate Openeye Name: 5-[(Z)-N-[(3,4-dimethoxyphenyl)carbamothioylamino]-C-methyl-carbonimidoyl]thiophene-2-carboxylate CAS Name: 5-[(1Z)-1-[[(3,4-dimethoxyanilino)-sulfanylidenemethyl]hydrazinylidene]ethyl]-2-thiophenecarboxylate IUPAC Name: 5-[(Z)-N-[(3,4-dimethoxyphenyl)carbamothioylamino]-C-methylcarbonimidoyl]thiophene-2-carboxylate Traditional Name: 5-[(Z)-N-[(3,4-dimethoxyphenyl)thiocarbamoylamino]-C-methyl-carbonimidoyl]-2-thenoate Formula: C16H16N3O4S2- MolecularWeight: 378.44594

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NC1=CC(=C(C=C1)OC)OC)C2=CC=C(S2)C(=O)[O-]

Isomeric SMILES

C/C(=N/NC(=S)NC1=CC(=C(C=C1)OC)OC)/C2=CC=C(S2)C(=O)[O-]

InChI

InChI=1S/C16H17N3O4S2/c1-9(13-6-7-14(25-13)15(20)21)18-19-16(24)17-10-4-5-11(22-2)12(8-10)23-3/h4-8H,1-3H3,(H,20,21)(H2,17,19,24)/p-1/b18-9-