6-oxidanylidene-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-5H-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 6-oxidanylidene-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 6-oxo-N-[3-[4-(1-piperidyl)-1-piperidyl]propyl]-5H-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 6-oxo-N-[3-[4-(1-piperidinyl)-1-piperidinyl]propyl]-5H-benzo[b][1,4]benzothiazepine-3-carboxamide IUPAC Name: 6-oxo-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6-keto-N-[3-(4-piperidinopiperidino)propyl]-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C27H34N4O2S MolecularWeight: 478.64946

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2CCN(CC2)CCCNC(=O)C3=CC4=C(C=C3)SC5=CC=CC=C5C(=O)N4

Isomeric SMILES

C1CCN(CC1)C2CCN(CC2)CCCNC(=O)C3=CC4=C(C=C3)SC5=CC=CC=C5C(=O)N4

InChI

InChI=1S/C27H34N4O2S/c32-26(28-13-6-14-30-17-11-21(12-18-30)31-15-4-1-5-16-31)20-9-10-25-23(19-20)29-27(33)22-7-2-3-8-24(22)34-25/h2-3,7-10,19,21H,1,4-6,11-18H2,(H,28,32)(H,29,33)