5-[(Z)-N-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-C-methyl-carbonimidoyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[(Z)-N-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-C-methyl-carbonimidoyl]thiophene-2-carboxylic acid Openeye Name: 5-[(Z)-N-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-C-methyl-carbonimidoyl]thiophene-2-carboxylic acid CAS Name: 5-[(1Z)-1-[[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]hydrazinylidene]ethyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[(Z)-N-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-C-methylcarbonimidoyl]thiophene-2-carboxylic acid Traditional Name: 5-[(Z)-C-methyl-N-(piperonylthiocarbamoylamino)carbonimidoyl]-2-thenoic acid Formula: C16H15N3O4S2 MolecularWeight: 377.438

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NCC1=CC2=C(C=C1)OCO2)C3=CC=C(S3)C(=O)O

Isomeric SMILES

C/C(=N/NC(=S)NCC1=CC2=C(C=C1)OCO2)/C3=CC=C(S3)C(=O)O

InChI

InChI=1S/C16H15N3O4S2/c1-9(13-4-5-14(25-13)15(20)21)18-19-16(24)17-7-10-2-3-11-12(6-10)23-8-22-11/h2-6H,7-8H2,1H3,(H,20,21)(H2,17,19,24)/b18-9-