N-[5-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide

Systemtic Name: N-[5-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Openeye Name: N-[5-(2-amino-2-oxo-ethyl)sulfanyl-4-methyl-thiazol-2-yl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide CAS Name: N-[5-[(2-amino-2-oxoethyl)thio]-4-methyl-2-thiazolyl]-1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinecarboxamide IUPAC Name: N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Traditional Name: N-[5-[(2-amino-2-keto-ethyl)thio]-4-methyl-thiazol-2-yl]-1-[(E)-3-phenylacryloyl]isonipecotamide Formula: C21H24N4O3S2 MolecularWeight: 444.57026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C2CCN(CC2)C(=O)C=CC3=CC=CC=C3)SCC(=O)N

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C2CCN(CC2)C(=O)/C=C/C3=CC=CC=C3)SCC(=O)N

InChI

InChI=1S/C21H24N4O3S2/c1-14-20(29-13-17(22)26)30-21(23-14)24-19(28)16-9-11-25(12-10-16)18(27)8-7-15-5-3-2-4-6-15/h2-8,16H,9-13H2,1H3,(H2,22,26)(H,23,24,28)/b8-7+