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

Systemtic Name: (E)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)-N-(2-thiophen-2-ylethyl)prop-2-enamide Openeye Name: (E)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)-N-[2-(2-thienyl)ethyl]prop-2-enamide CAS Name: (E)-N-[4-(methylthio)-1,3-benzothiazol-2-yl]-3-(4-nitrophenyl)-N-(2-thiophen-2-ylethyl)-2-propenamide IUPAC Name: (E)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)-N-(2-thiophen-2-ylethyl)prop-2-enamide Traditional Name: (E)-N-[4-(methylthio)-1,3-benzothiazol-2-yl]-3-(4-nitrophenyl)-N-[2-(2-thienyl)ethyl]acrylamide Formula: C23H19N3O3S3 MolecularWeight: 481.61026

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC2=C1N=C(S2)N(CCC3=CC=CS3)C(=O)C=CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=CC2=C1N=C(S2)N(CCC3=CC=CS3)C(=O)/C=C/C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H19N3O3S3/c1-30-19-5-2-6-20-22(19)24-23(32-20)25(14-13-18-4-3-15-31-18)21(27)12-9-16-7-10-17(11-8-16)26(28)29/h2-12,15H,13-14H2,1H3/b12-9+