N-[3-(dipropylamino)propyl]-5-ethyl-6,11-bis(oxidanylidene)benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-[3-(dipropylamino)propyl]-5-ethyl-6,11-bis(oxidanylidene)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-[3-(dipropylamino)propyl]-5-ethyl-6,11-dioxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-[3-(dipropylamino)propyl]-5-ethyl-6,11-dioxo-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-[3-(dipropylamino)propyl]-5-ethyl-6,11-dioxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-[3-(dipropylamino)propyl]-5-ethyl-6,11-diketo-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C25H33N3O3S MolecularWeight: 455.61282

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)CCCNC(=O)C1=CC2=C(C=C1)S(=O)C3=CC=CC=C3C(=O)N2CC

Isomeric SMILES

CCCN(CCC)CCCNC(=O)C1=CC2=C(C=C1)S(=O)C3=CC=CC=C3C(=O)N2CC

InChI

InChI=1S/C25H33N3O3S/c1-4-15-27(16-5-2)17-9-14-26-24(29)19-12-13-23-21(18-19)28(6-3)25(30)20-10-7-8-11-22(20)32(23)31/h7-8,10-13,18H,4-6,9,14-17H2,1-3H3,(H,26,29)