N-[(3S)-2-oxidanylideneazepan-3-yl]-4-[4-(2-thiophen-2-ylethylamino)piperidin-1-yl]benzamide

Systemtic Name: N-[(3S)-2-oxidanylideneazepan-3-yl]-4-[4-(2-thiophen-2-ylethylamino)piperidin-1-yl]benzamide Openeye Name: N-[(3S)-2-oxoazepan-3-yl]-4-[4-[2-(2-thienyl)ethylamino]-1-piperidyl]benzamide CAS Name: N-[(3S)-2-oxo-3-azepanyl]-4-[4-(2-thiophen-2-ylethylamino)-1-piperidinyl]benzamide IUPAC Name: N-[(3S)-2-oxoazepan-3-yl]-4-[4-(2-thiophen-2-ylethylamino)piperidin-1-yl]benzamide Traditional Name: N-[(3S)-2-ketoazepan-3-yl]-4-[4-[2-(2-thienyl)ethylamino]piperidino]benzamide Formula: C24H32N4O2S MolecularWeight: 440.60148

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC(=O)C2=CC=C(C=C2)N3CCC(CC3)NCCC4=CC=CS4

Isomeric SMILES

C1CCNC(=O)[C@H](C1)NC(=O)C2=CC=C(C=C2)N3CCC(CC3)NCCC4=CC=CS4

InChI

InChI=1S/C24H32N4O2S/c29-23(27-22-5-1-2-13-26-24(22)30)18-6-8-20(9-7-18)28-15-11-19(12-16-28)25-14-10-21-4-3-17-31-21/h3-4,6-9,17,19,22,25H,1-2,5,10-16H2,(H,26,30)(H,27,29)/t22-/m0/s1