5-[(Z)-N-[(4-methoxyphenyl)methylcarbamothioylamino]-C-methyl-carbonimidoyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[(Z)-N-[(4-methoxyphenyl)methylcarbamothioylamino]-C-methyl-carbonimidoyl]thiophene-2-carboxylic acid Openeye Name: 5-[(Z)-N-[(4-methoxyphenyl)methylcarbamothioylamino]-C-methyl-carbonimidoyl]thiophene-2-carboxylic acid CAS Name: 5-[(1Z)-1-[[[(4-methoxyphenyl)methylamino]-sulfanylidenemethyl]hydrazinylidene]ethyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[(Z)-N-[(4-methoxyphenyl)methylcarbamothioylamino]-C-methylcarbonimidoyl]thiophene-2-carboxylic acid Traditional Name: 5-[(Z)-C-methyl-N-(p-anisylthiocarbamoylamino)carbonimidoyl]-2-thenoic acid Formula: C16H17N3O3S2 MolecularWeight: 363.45448

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NCC1=CC=C(C=C1)OC)C2=CC=C(S2)C(=O)O

Isomeric SMILES

C/C(=N/NC(=S)NCC1=CC=C(C=C1)OC)/C2=CC=C(S2)C(=O)O

InChI

InChI=1S/C16H17N3O3S2/c1-10(13-7-8-14(24-13)15(20)21)18-19-16(23)17-9-11-3-5-12(22-2)6-4-11/h3-8H,9H2,1-2H3,(H,20,21)(H2,17,19,23)/b18-10-