N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide

Systemtic Name: N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Openeye Name: N-[2-(2-amino-2-oxo-ethyl)sulfanylphenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide CAS Name: N-[2-[(2-amino-2-oxoethyl)thio]phenyl]-1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinecarboxamide IUPAC Name: N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Traditional Name: N-[2-[(2-amino-2-keto-ethyl)thio]phenyl]-1-[(E)-3-phenylacryloyl]isonipecotamide Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=CC=C2SCC(=O)N)C(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=CC=C2SCC(=O)N)C(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C23H25N3O3S/c24-21(27)16-30-20-9-5-4-8-19(20)25-23(29)18-12-14-26(15-13-18)22(28)11-10-17-6-2-1-3-7-17/h1-11,18H,12-16H2,(H2,24,27)(H,25,29)/b11-10+