N-(phenylmethyl)-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-(phenylmethyl)-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-benzyl-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-(phenylmethyl)-6-propyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-benzyl-6-propylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-benzyl-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C24H22N2OS MolecularWeight: 386.50928

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=CC(=C2)C(=O)NCC3=CC=CC=C3)SC4=CC=CC=C41

Isomeric SMILES

CCCC1=NC2=C(C=CC(=C2)C(=O)NCC3=CC=CC=C3)SC4=CC=CC=C41

InChI

InChI=1S/C24H22N2OS/c1-2-8-20-19-11-6-7-12-22(19)28-23-14-13-18(15-21(23)26-20)24(27)25-16-17-9-4-3-5-10-17/h3-7,9-15H,2,8,16H2,1H3,(H,25,27)