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

Systemtic Name: N-[3-(dibutylamino)propyl]-6-oxidanylidene-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-[3-(dibutylamino)propyl]-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-[3-(dibutylamino)propyl]-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide IUPAC Name: N-[3-(dibutylamino)propyl]-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-[3-(dibutylamino)propyl]-6-keto-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C25H33N3O2S MolecularWeight: 439.61342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)CCCNC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2

Isomeric SMILES

CCCCN(CCCC)CCCNC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C25H33N3O2S/c1-3-5-15-28(16-6-4-2)17-9-14-26-24(29)19-12-13-23-21(18-19)27-25(30)20-10-7-8-11-22(20)31-23/h7-8,10-13,18H,3-6,9,14-17H2,1-2H3,(H,26,29)(H,27,30)