N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide

Systemtic Name: N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Openeye Name: N-[4-(azepan-1-ylmethyl)thiazol-2-yl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide CAS Name: N-[4-(1-azepanylmethyl)-2-thiazolyl]-1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinecarboxamide IUPAC Name: N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Traditional Name: N-[4-(azepan-1-ylmethyl)thiazol-2-yl]-1-[(E)-3-phenylacryloyl]isonipecotamide Formula: C25H32N4O2S MolecularWeight: 452.61218

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2=CSC(=N2)NC(=O)C3CCN(CC3)C(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)CC2=CSC(=N2)NC(=O)C3CCN(CC3)C(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C25H32N4O2S/c30-23(11-10-20-8-4-3-5-9-20)29-16-12-21(13-17-29)24(31)27-25-26-22(19-32-25)18-28-14-6-1-2-7-15-28/h3-5,8-11,19,21H,1-2,6-7,12-18H2,(H,26,27,31)/b11-10+