(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-1-sulfanylidene-isoquinolin-3-one

Systemtic Name: (4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-1-sulfanylidene-isoquinolin-3-one Openeye Name: (4Z)-4-(1,3-benzodioxol-5-ylmethylene)-1-thioxo-isoquinolin-3-one CAS Name: (4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-1-sulfanylidene-3-isoquinolinone IUPAC Name: (4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-1-sulfanylideneisoquinolin-3-one Traditional Name: (4Z)-4-piperonylidene-1-thioxo-3-isoquinolone Formula: C17H11NO3S MolecularWeight: 309.33914

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=C3C4=CC=CC=C4C(=S)NC3=O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C\3/C4=CC=CC=C4C(=S)NC3=O

InChI

InChI=1S/C17H11NO3S/c19-16-13(11-3-1-2-4-12(11)17(22)18-16)7-10-5-6-14-15(8-10)21-9-20-14/h1-8H,9H2,(H,18,19,22)/b13-7-