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

Systemtic Name: (E)-3-(4-butoxyphenyl)-2-cyano-N-propan-2-yl-N-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)prop-2-enamide Openeye Name: (E)-3-(4-butoxyphenyl)-2-cyano-N-isopropyl-N-(2-thioxo-3H-1,3-benzothiazol-6-yl)prop-2-enamide CAS Name: (E)-3-(4-butoxyphenyl)-2-cyano-N-propan-2-yl-N-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)-2-propenamide IUPAC Name: (E)-3-(4-butoxyphenyl)-2-cyano-N-propan-2-yl-N-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)prop-2-enamide Traditional Name: (E)-3-(4-butoxyphenyl)-2-cyano-N-isopropyl-N-(2-thioxo-3H-1,3-benzothiazol-6-yl)acrylamide Formula: C24H25N3O2S2 MolecularWeight: 451.6042

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=C(C#N)C(=O)N(C2=CC3=C(C=C2)NC(=S)S3)C(C)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)/C=C(\C#N)/C(=O)N(C2=CC3=C(C=C2)NC(=S)S3)C(C)C

InChI

InChI=1S/C24H25N3O2S2/c1-4-5-12-29-20-9-6-17(7-10-20)13-18(15-25)23(28)27(16(2)3)19-8-11-21-22(14-19)31-24(30)26-21/h6-11,13-14,16H,4-5,12H2,1-3H3,(H,26,30)/b18-13+