N-[2-(dibutylamino)ethyl]-6-ethylidene-8-methyl-5H-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-[2-(dibutylamino)ethyl]-6-ethylidene-8-methyl-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-[2-(dibutylamino)ethyl]-6-ethylidene-8-methyl-5H-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-[2-(dibutylamino)ethyl]-6-ethylidene-8-methyl-5H-benzo[b][1,4]benzothiazepine-3-carboxamide IUPAC Name: N-[2-(dibutylamino)ethyl]-6-ethylidene-8-methyl-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-[2-(dibutylamino)ethyl]-6-ethylidene-8-methyl-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C27H37N3OS MolecularWeight: 451.66718

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)CCNC(=O)C1=CC2=C(C=C1)SC3=C(C=C(C=C3)C)C(=CC)N2

Isomeric SMILES

CCCCN(CCCC)CCNC(=O)C1=CC2=C(C=C1)SC3=C(C=C(C=C3)C)C(=CC)N2

InChI

InChI=1S/C27H37N3OS/c1-5-8-15-30(16-9-6-2)17-14-28-27(31)21-11-13-26-24(19-21)29-23(7-3)22-18-20(4)10-12-25(22)32-26/h7,10-13,18-19,29H,5-6,8-9,14-17H2,1-4H3,(H,28,31)