2-[3-[(E)-3-azanyl-2-cyano-3-sulfanylidene-prop-1-enyl]indol-1-yl]-N-(1,3-benzodioxol-5-yl)ethanamide

Systemtic Name: 2-[3-[(E)-3-azanyl-2-cyano-3-sulfanylidene-prop-1-enyl]indol-1-yl]-N-(1,3-benzodioxol-5-yl)ethanamide Openeye Name: 2-[3-[(E)-3-amino-2-cyano-3-thioxo-prop-1-enyl]indol-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide CAS Name: 2-[3-[(E)-3-amino-2-cyano-3-sulfanylideneprop-1-enyl]-1-indolyl]-N-(1,3-benzodioxol-5-yl)acetamide IUPAC Name: 2-[3-[(E)-3-amino-2-cyano-3-sulfanylideneprop-1-enyl]indol-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide Traditional Name: 2-[3-[(E)-3-amino-2-cyano-3-thioxo-prop-1-enyl]indol-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide Formula: C21H16N4O3S MolecularWeight: 404.44174

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CN3C=C(C4=CC=CC=C43)C=C(C#N)C(=S)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CN3C=C(C4=CC=CC=C43)/C=C(\C#N)/C(=S)N

InChI

InChI=1S/C21H16N4O3S/c22-9-13(21(23)29)7-14-10-25(17-4-2-1-3-16(14)17)11-20(26)24-15-5-6-18-19(8-15)28-12-27-18/h1-8,10H,11-12H2,(H2,23,29)(H,24,26)/b13-7+