4-[4-(2,1,3-benzothiadiazol-5-ylmethylamino)piperidin-1-yl]-N-[(3S)-2-oxidanylideneazepan-3-yl]benzamide

Systemtic Name: 4-[4-(2,1,3-benzothiadiazol-5-ylmethylamino)piperidin-1-yl]-N-[(3S)-2-oxidanylideneazepan-3-yl]benzamide Openeye Name: 4-[4-(2,1,3-benzothiadiazol-5-ylmethylamino)-1-piperidyl]-N-[(3S)-2-oxoazepan-3-yl]benzamide CAS Name: 4-[4-(2,1,3-benzothiadiazol-5-ylmethylamino)-1-piperidinyl]-N-[(3S)-2-oxo-3-azepanyl]benzamide IUPAC Name: 4-[4-(2,1,3-benzothiadiazol-5-ylmethylamino)piperidin-1-yl]-N-[(3S)-2-oxoazepan-3-yl]benzamide Traditional Name: N-[(3S)-2-ketoazepan-3-yl]-4-[4-(piazthiol-5-ylmethylamino)piperidino]benzamide Formula: C25H30N6O2S MolecularWeight: 478.6097

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC(=O)C2=CC=C(C=C2)N3CCC(CC3)NCC4=CC5=NSN=C5C=C4

Isomeric SMILES

C1CCNC(=O)[C@H](C1)NC(=O)C2=CC=C(C=C2)N3CCC(CC3)NCC4=CC5=NSN=C5C=C4

InChI

InChI=1S/C25H30N6O2S/c32-24(28-22-3-1-2-12-26-25(22)33)18-5-7-20(8-6-18)31-13-10-19(11-14-31)27-16-17-4-9-21-23(15-17)30-34-29-21/h4-9,15,19,22,27H,1-3,10-14,16H2,(H,26,33)(H,28,32)/t22-/m0/s1