5-[(Z)-N-[(2,6-dimethylphenyl)carbamothioylamino]-C-methyl-carbonimidoyl]thiophene-2-carboxylate

Systemtic Name: 5-[(Z)-N-[(2,6-dimethylphenyl)carbamothioylamino]-C-methyl-carbonimidoyl]thiophene-2-carboxylate Openeye Name: 5-[(Z)-N-[(2,6-dimethylphenyl)carbamothioylamino]-C-methyl-carbonimidoyl]thiophene-2-carboxylate CAS Name: 5-[(1Z)-1-[[(2,6-dimethylanilino)-sulfanylidenemethyl]hydrazinylidene]ethyl]-2-thiophenecarboxylate IUPAC Name: 5-[(Z)-N-[(2,6-dimethylphenyl)carbamothioylamino]-C-methylcarbonimidoyl]thiophene-2-carboxylate Traditional Name: 5-[(Z)-N-[(2,6-dimethylphenyl)thiocarbamoylamino]-C-methyl-carbonimidoyl]-2-thenoate Formula: C16H16N3O2S2- MolecularWeight: 346.44714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=S)NN=C(C)C2=CC=C(S2)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=S)N/N=C(/C)\C2=CC=C(S2)C(=O)[O-]

InChI

InChI=1S/C16H17N3O2S2/c1-9-5-4-6-10(2)14(9)17-16(22)19-18-11(3)12-7-8-13(23-12)15(20)21/h4-8H,1-3H3,(H,20,21)(H2,17,19,22)/p-1/b18-11-