5-[(Z)-N-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]-C-methyl-carbonimidoyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[(Z)-N-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]-C-methyl-carbonimidoyl]thiophene-2-carboxylic acid Openeye Name: 5-[(Z)-N-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]-C-methyl-carbonimidoyl]thiophene-2-carboxylic acid CAS Name: 5-[(1Z)-1-[[[2-(3,4-dimethoxyphenyl)ethylamino]-sulfanylidenemethyl]hydrazinylidene]ethyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[(Z)-N-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]-C-methylcarbonimidoyl]thiophene-2-carboxylic acid Traditional Name: 5-[(Z)-N-(homoveratrylthiocarbamoylamino)-C-methyl-carbonimidoyl]-2-thenoic acid Formula: C18H21N3O4S2 MolecularWeight: 407.50704

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NCCC1=CC(=C(C=C1)OC)OC)C2=CC=C(S2)C(=O)O

Isomeric SMILES

C/C(=N/NC(=S)NCCC1=CC(=C(C=C1)OC)OC)/C2=CC=C(S2)C(=O)O

InChI

InChI=1S/C18H21N3O4S2/c1-11(15-6-7-16(27-15)17(22)23)20-21-18(26)19-9-8-12-4-5-13(24-2)14(10-12)25-3/h4-7,10H,8-9H2,1-3H3,(H,22,23)(H2,19,21,26)/b20-11-