N-cyclopentyl-6-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-cyclopentyl-6-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-cyclopentyl-6-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-cyclopentyl-6-methyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-cyclopentyl-6-methylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-cyclopentyl-6-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C20H20N2OS MolecularWeight: 336.4506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC(=C2)C(=O)NC3CCCC3)SC4=CC=CC=C14

Isomeric SMILES

CC1=NC2=C(C=CC(=C2)C(=O)NC3CCCC3)SC4=CC=CC=C14

InChI

InChI=1S/C20H20N2OS/c1-13-16-8-4-5-9-18(16)24-19-11-10-14(12-17(19)21-13)20(23)22-15-6-2-3-7-15/h4-5,8-12,15H,2-3,6-7H2,1H3,(H,22,23)