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

Systemtic Name: (E)-N-(2-dimethylaminoethyl)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-(2-dimethylaminoethyl)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)prop-2-enamide CAS Name: (E)-N-(2-dimethylaminoethyl)-N-[4-(methylthio)-1,3-benzothiazol-2-yl]-3-(4-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-(2-dimethylaminoethyl)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-(2-dimethylaminoethyl)-N-[4-(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=CC=C2SC)C(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCN(C1=NC2=C(S1)C=CC=C2SC)C(=O)/C=C/C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O3S2/c1-23(2)13-14-24(21-22-20-17(29-3)5-4-6-18(20)30-21)19(26)12-9-15-7-10-16(11-8-15)25(27)28/h4-12H,13-14H2,1-3H3/b12-9+