N-(furan-2-ylmethyl)-8-methyl-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-(furan-2-ylmethyl)-8-methyl-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-(2-furylmethyl)-8-methyl-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-(2-furanylmethyl)-8-methyl-6-propyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-(furan-2-ylmethyl)-8-methyl-6-propylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-(2-furfuryl)-8-methyl-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C23H22N2O2S MolecularWeight: 390.49798

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=CC(=C2)C(=O)NCC3=CC=CO3)SC4=C1C=C(C=C4)C

Isomeric SMILES

CCCC1=NC2=C(C=CC(=C2)C(=O)NCC3=CC=CO3)SC4=C1C=C(C=C4)C

InChI

InChI=1S/C23H22N2O2S/c1-3-5-19-18-12-15(2)7-9-21(18)28-22-10-8-16(13-20(22)25-19)23(26)24-14-17-6-4-11-27-17/h4,6-13H,3,5,14H2,1-2H3,(H,24,26)