N-[(2S)-butan-2-yl]-2-piperidin-1-yl-5-(2-thiophen-2-ylethanoylamino)benzamide

Systemtic Name: N-[(2S)-butan-2-yl]-2-piperidin-1-yl-5-(2-thiophen-2-ylethanoylamino)benzamide Openeye Name: N-[(1S)-1-methylpropyl]-2-(1-piperidyl)-5-[[2-(2-thienyl)acetyl]amino]benzamide CAS Name: N-[(2S)-butan-2-yl]-5-[(1-oxo-2-thiophen-2-ylethyl)amino]-2-(1-piperidinyl)benzamide IUPAC Name: N-[(2S)-butan-2-yl]-2-piperidin-1-yl-5-[(2-thiophen-2-ylacetyl)amino]benzamide Traditional Name: N-[(1S)-1-methylpropyl]-2-piperidino-5-[[2-(2-thienyl)acetyl]amino]benzamide Formula: C22H29N3O2S MolecularWeight: 399.54956

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)CC2=CC=CS2)N3CCCCC3

Isomeric SMILES

CC[C@H](C)NC(=O)C1=C(C=CC(=C1)NC(=O)CC2=CC=CS2)N3CCCCC3

InChI

InChI=1S/C22H29N3O2S/c1-3-16(2)23-22(27)19-14-17(24-21(26)15-18-8-7-13-28-18)9-10-20(19)25-11-5-4-6-12-25/h7-10,13-14,16H,3-6,11-12,15H2,1-2H3,(H,23,27)(H,24,26)/t16-/m0/s1