8-chloranyl-6-methylidene-N-(3-propan-2-yloxypropyl)-5H-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 8-chloranyl-6-methylidene-N-(3-propan-2-yloxypropyl)-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 8-chloro-N-(3-isopropoxypropyl)-6-methylene-5H-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 8-chloro-6-methylene-N-(3-propan-2-yloxypropyl)-5H-benzo[b][1,4]benzothiazepine-3-carboxamide IUPAC Name: 8-chloro-6-methylidene-N-(3-propan-2-yloxypropyl)-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 8-chloro-N-(3-isopropoxypropyl)-6-methylene-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C21H23ClN2O2S MolecularWeight: 402.93752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCNC(=O)C1=CC2=C(C=C1)SC3=C(C=C(C=C3)Cl)C(=C)N2

Isomeric SMILES

CC(C)OCCCNC(=O)C1=CC2=C(C=C1)SC3=C(C=C(C=C3)Cl)C(=C)N2

InChI

InChI=1S/C21H23ClN2O2S/c1-13(2)26-10-4-9-23-21(25)15-5-7-20-18(11-15)24-14(3)17-12-16(22)6-8-19(17)27-20/h5-8,11-13,24H,3-4,9-10H2,1-2H3,(H,23,25)