(E)-3-(1,3-benzodioxol-5-yl)-N-[(4-iodophenyl)carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[(4-iodophenyl)carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[(4-iodophenyl)carbamothioyl]prop-2-enamide CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[(4-iodoanilino)-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[(4-iodophenyl)carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[(4-iodophenyl)thiocarbamoyl]acrylamide Formula: C17H13IN2O3S MolecularWeight: 452.26619

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=CC(=O)NC(=S)NC3=CC=C(C=C3)I

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)NC(=S)NC3=CC=C(C=C3)I

InChI

InChI=1S/C17H13IN2O3S/c18-12-3-5-13(6-4-12)19-17(24)20-16(21)8-2-11-1-7-14-15(9-11)23-10-22-14/h1-9H,10H2,(H2,19,20,21,24)/b8-2+