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

Systemtic Name: (E)-3-(4-bromophenyl)-2-cyano-N-propan-2-yl-N-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)prop-2-enamide Openeye Name: (E)-3-(4-bromophenyl)-2-cyano-N-isopropyl-N-(2-thioxo-3H-1,3-benzothiazol-6-yl)prop-2-enamide CAS Name: (E)-3-(4-bromophenyl)-2-cyano-N-propan-2-yl-N-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)-2-propenamide IUPAC Name: (E)-3-(4-bromophenyl)-2-cyano-N-propan-2-yl-N-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)prop-2-enamide Traditional Name: (E)-3-(4-bromophenyl)-2-cyano-N-isopropyl-N-(2-thioxo-3H-1,3-benzothiazol-6-yl)acrylamide Formula: C20H16BrN3OS2 MolecularWeight: 458.39454

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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)Br)C#N

Isomeric SMILES

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

InChI

InChI=1S/C20H16BrN3OS2/c1-12(2)24(16-7-8-17-18(10-16)27-20(26)23-17)19(25)14(11-22)9-13-3-5-15(21)6-4-13/h3-10,12H,1-2H3,(H,23,26)/b14-9+