(E)-3-(3,4-dimethoxyphenyl)-N-[(thiophen-2-ylcarbonylamino)carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(3,4-dimethoxyphenyl)-N-[(thiophen-2-ylcarbonylamino)carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(3,4-dimethoxyphenyl)-N-[(thiophene-2-carbonylamino)carbamothioyl]prop-2-enamide CAS Name: (E)-3-(3,4-dimethoxyphenyl)-N-[[[oxo(thiophen-2-yl)methyl]hydrazo]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(3,4-dimethoxyphenyl)-N-[(thiophene-2-carbonylamino)carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(3,4-dimethoxyphenyl)-N-[(2-thenoylamino)thiocarbamoyl]acrylamide Formula: C17H17N3O4S2 MolecularWeight: 391.46458

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)NC(=S)NNC(=O)C2=CC=CS2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)NC(=S)NNC(=O)C2=CC=CS2)OC

InChI

InChI=1S/C17H17N3O4S2/c1-23-12-7-5-11(10-13(12)24-2)6-8-15(21)18-17(25)20-19-16(22)14-4-3-9-26-14/h3-10H,1-2H3,(H,19,22)(H2,18,20,21,25)/b8-6+