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

Systemtic Name: (E)-2-cyano-3-(3,4-dichlorophenyl)-N-propan-2-yl-N-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)prop-2-enamide Openeye Name: (E)-2-cyano-3-(3,4-dichlorophenyl)-N-isopropyl-N-(2-thioxo-3H-1,3-benzothiazol-6-yl)prop-2-enamide CAS Name: (E)-2-cyano-3-(3,4-dichlorophenyl)-N-propan-2-yl-N-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)-2-propenamide IUPAC Name: (E)-2-cyano-3-(3,4-dichlorophenyl)-N-propan-2-yl-N-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)prop-2-enamide Traditional Name: (E)-2-cyano-3-(3,4-dichlorophenyl)-N-isopropyl-N-(2-thioxo-3H-1,3-benzothiazol-6-yl)acrylamide Formula: C20H15Cl2N3OS2 MolecularWeight: 448.3886

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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)Cl)Cl)C#N

Isomeric SMILES

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

InChI

InChI=1S/C20H15Cl2N3OS2/c1-11(2)25(14-4-6-17-18(9-14)28-20(27)24-17)19(26)13(10-23)7-12-3-5-15(21)16(22)8-12/h3-9,11H,1-2H3,(H,24,27)/b13-7+