N-cyclooctyl-5-[(3-methylphenyl)methyl]-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-cyclooctyl-5-[(3-methylphenyl)methyl]-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-cyclooctyl-5-(m-tolylmethyl)-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-cyclooctyl-5-[(3-methylphenyl)methyl]-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-cyclooctyl-5-[(3-methylphenyl)methyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-cyclooctyl-6-keto-5-(3-methylbenzyl)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C30H32N2O2S MolecularWeight: 484.65228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C3=C(C=CC(=C3)C(=O)NC4CCCCCCC4)SC5=CC=CC=C5C2=O

Isomeric SMILES

CC1=CC(=CC=C1)CN2C3=C(C=CC(=C3)C(=O)NC4CCCCCCC4)SC5=CC=CC=C5C2=O

InChI

InChI=1S/C30H32N2O2S/c1-21-10-9-11-22(18-21)20-32-26-19-23(29(33)31-24-12-5-3-2-4-6-13-24)16-17-28(26)35-27-15-8-7-14-25(27)30(32)34/h7-11,14-19,24H,2-6,12-13,20H2,1H3,(H,31,33)