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

Systemtic Name: 5-[(Z)-N-[(4-ethoxyphenyl)carbamothioylamino]-C-methyl-carbonimidoyl]thiophene-2-carboxylate Openeye Name: 5-[(Z)-N-[(4-ethoxyphenyl)carbamothioylamino]-C-methyl-carbonimidoyl]thiophene-2-carboxylate CAS Name: 5-[(1Z)-1-[[(4-ethoxyanilino)-sulfanylidenemethyl]hydrazinylidene]ethyl]-2-thiophenecarboxylate IUPAC Name: 5-[(Z)-N-[(4-ethoxyphenyl)carbamothioylamino]-C-methylcarbonimidoyl]thiophene-2-carboxylate Traditional Name: 5-[(Z)-C-methyl-N-(p-phenetylthiocarbamoylamino)carbonimidoyl]-2-thenoate Formula: C16H16N3O3S2- MolecularWeight: 362.44654

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)NN=C(C)C2=CC=C(S2)C(=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)N/N=C(/C)\C2=CC=C(S2)C(=O)[O-]

InChI

InChI=1S/C16H17N3O3S2/c1-3-22-12-6-4-11(5-7-12)17-16(23)19-18-10(2)13-8-9-14(24-13)15(20)21/h4-9H,3H2,1-2H3,(H,20,21)(H2,17,19,23)/p-1/b18-10-