N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide

Systemtic Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Openeye Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide CAS Name: N-[2-(methylthio)-1,3-benzothiazol-6-yl]-1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinecarboxamide IUPAC Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Traditional Name: N-[2-(methylthio)-1,3-benzothiazol-6-yl]-1-[(E)-3-phenylacryloyl]isonipecotamide Formula: C23H23N3O2S2 MolecularWeight: 437.57762

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CCN(CC3)C(=O)C=CC4=CC=CC=C4

Isomeric SMILES

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CCN(CC3)C(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C23H23N3O2S2/c1-29-23-25-19-9-8-18(15-20(19)30-23)24-22(28)17-11-13-26(14-12-17)21(27)10-7-16-5-3-2-4-6-16/h2-10,15,17H,11-14H2,1H3,(H,24,28)/b10-7+