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

Systemtic Name: 6-oxidanylidene-N-[3-(4-propylpiperazin-1-yl)propyl]-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 6-oxo-N-[3-(4-propylpiperazin-1-yl)propyl]-5H-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 6-oxo-N-[3-(4-propyl-1-piperazinyl)propyl]-5H-benzo[b][1,4]benzothiazepine-3-carboxamide IUPAC Name: 6-oxo-N-[3-(4-propylpiperazin-1-yl)propyl]-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6-keto-N-[3-(4-propylpiperazino)propyl]-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C24H30N4O2S MolecularWeight: 438.5856

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(CC1)CCCNC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3

Isomeric SMILES

CCCN1CCN(CC1)CCCNC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C24H30N4O2S/c1-2-11-27-13-15-28(16-14-27)12-5-10-25-23(29)18-8-9-22-20(17-18)26-24(30)19-6-3-4-7-21(19)31-22/h3-4,6-9,17H,2,5,10-16H2,1H3,(H,25,29)(H,26,30)