(E)-2-cyano-3-(4-cyanophenyl)-N-propan-2-yl-N-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)prop-2-enamide

Systemtic Name: (E)-2-cyano-3-(4-cyanophenyl)-N-propan-2-yl-N-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)prop-2-enamide Openeye Name: (E)-2-cyano-3-(4-cyanophenyl)-N-isopropyl-N-(2-thioxo-3H-1,3-benzothiazol-6-yl)prop-2-enamide CAS Name: (E)-2-cyano-3-(4-cyanophenyl)-N-propan-2-yl-N-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)-2-propenamide IUPAC Name: (E)-2-cyano-3-(4-cyanophenyl)-N-propan-2-yl-N-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)prop-2-enamide Traditional Name: (E)-2-cyano-3-(4-cyanophenyl)-N-isopropyl-N-(2-thioxo-3H-1,3-benzothiazol-6-yl)acrylamide Formula: C21H16N4OS2 MolecularWeight: 404.50794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=CC2=C(C=C1)NC(=S)S2)C(=O)C(=CC3=CC=C(C=C3)C#N)C#N

Isomeric SMILES

CC(C)N(C1=CC2=C(C=C1)NC(=S)S2)C(=O)/C(=C/C3=CC=C(C=C3)C#N)/C#N

InChI

InChI=1S/C21H16N4OS2/c1-13(2)25(17-7-8-18-19(10-17)28-21(27)24-18)20(26)16(12-23)9-14-3-5-15(11-22)6-4-14/h3-10,13H,1-2H3,(H,24,27)/b16-9+