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

Systemtic Name: 8-chloranyl-N-(furan-2-ylmethyl)-6-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 8-chloro-N-(2-furylmethyl)-6-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 8-chloro-N-(2-furanylmethyl)-6-methyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 8-chloro-N-(furan-2-ylmethyl)-6-methylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 8-chloro-N-(2-furfuryl)-6-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C20H15ClN2O2S MolecularWeight: 382.8633

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC(=C2)C(=O)NCC3=CC=CO3)SC4=C1C=C(C=C4)Cl

Isomeric SMILES

CC1=NC2=C(C=CC(=C2)C(=O)NCC3=CC=CO3)SC4=C1C=C(C=C4)Cl

InChI

InChI=1S/C20H15ClN2O2S/c1-12-16-10-14(21)5-7-18(16)26-19-6-4-13(9-17(19)23-12)20(24)22-11-15-3-2-8-25-15/h2-10H,11H2,1H3,(H,22,24)