(E)-N-(2-dimethylaminoethyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-N-(2-dimethylaminoethyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-(2-dimethylaminoethyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)prop-2-enamide CAS Name: (E)-N-(2-dimethylaminoethyl)-N-[6-(methylthio)-1,3-benzothiazol-2-yl]-3-(4-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-(2-dimethylaminoethyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-(2-dimethylaminoethyl)-N-[6-(methylthio)-1,3-benzothiazol-2-yl]-3-(4-nitrophenyl)acrylamide Formula: C21H22N4O3S2 MolecularWeight: 442.55438

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(C1=NC2=C(S1)C=C(C=C2)SC)C(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCN(C1=NC2=C(S1)C=C(C=C2)SC)C(=O)/C=C/C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O3S2/c1-23(2)12-13-24(21-22-18-10-9-17(29-3)14-19(18)30-21)20(26)11-6-15-4-7-16(8-5-15)25(27)28/h4-11,14H,12-13H2,1-3H3/b11-6+