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

Systemtic Name: (E)-N-[(carbamothioylamino)carbamothioyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide Openeye Name: (E)-N-[(carbamothioylamino)carbamothioyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide CAS Name: (E)-N-[(carbamothioylhydrazo)-sulfanylidenemethyl]-3-(3,4-dimethoxyphenyl)-2-propenamide IUPAC Name: (E)-N-[(carbamothioylamino)carbamothioyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide Traditional Name: (E)-3-(3,4-dimethoxyphenyl)-N-(thioureidothiocarbamoyl)acrylamide Formula: C13H16N4O3S2 MolecularWeight: 340.42114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)NC(=S)NNC(=S)N)OC

InChI

InChI=1S/C13H16N4O3S2/c1-19-9-5-3-8(7-10(9)20-2)4-6-11(18)15-13(22)17-16-12(14)21/h3-7H,1-2H3,(H3,14,16,21)(H2,15,17,18,22)/b6-4+