2-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-N-[(S)-(4-methylphenyl)-thiophen-2-yl-methyl]ethanamide

Systemtic Name: 2-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-N-[(S)-(4-methylphenyl)-thiophen-2-yl-methyl]ethanamide Openeye Name: 2-[4-(azepane-1-carbonyl)-1-piperidyl]-N-[(S)-p-tolyl(2-thienyl)methyl]acetamide CAS Name: 2-[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-N-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]acetamide IUPAC Name: 2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]acetamide Traditional Name: 2-[4-(azepane-1-carbonyl)piperidino]-N-[(S)-p-tolyl(2-thienyl)methyl]acetamide Formula: C26H35N3O2S MolecularWeight: 453.64

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)CN3CCC(CC3)C(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H](C2=CC=CS2)NC(=O)CN3CCC(CC3)C(=O)N4CCCCCC4

InChI

InChI=1S/C26H35N3O2S/c1-20-8-10-21(11-9-20)25(23-7-6-18-32-23)27-24(30)19-28-16-12-22(13-17-28)26(31)29-14-4-2-3-5-15-29/h6-11,18,22,25H,2-5,12-17,19H2,1H3,(H,27,30)/t25-/m0/s1