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

Systemtic Name: (E)-2-cyano-3-(4-methoxyphenyl)-N-propan-2-yl-N-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)prop-2-enamide Openeye Name: (E)-2-cyano-N-isopropyl-3-(4-methoxyphenyl)-N-(2-thioxo-3H-1,3-benzothiazol-6-yl)prop-2-enamide CAS Name: (E)-2-cyano-3-(4-methoxyphenyl)-N-propan-2-yl-N-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)-2-propenamide IUPAC Name: (E)-2-cyano-3-(4-methoxyphenyl)-N-propan-2-yl-N-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)prop-2-enamide Traditional Name: (E)-2-cyano-N-isopropyl-3-(4-methoxyphenyl)-N-(2-thioxo-3H-1,3-benzothiazol-6-yl)acrylamide Formula: C21H19N3O2S2 MolecularWeight: 409.52446

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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)OC)C#N

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O2S2/c1-13(2)24(16-6-9-18-19(11-16)28-21(27)23-18)20(25)15(12-22)10-14-4-7-17(26-3)8-5-14/h4-11,13H,1-3H3,(H,23,27)/b15-10+