N-cycloheptyl-5-[(2,5-dimethylphenyl)methyl]-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-cycloheptyl-5-[(2,5-dimethylphenyl)methyl]-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-cycloheptyl-5-[(2,5-dimethylphenyl)methyl]-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-cycloheptyl-5-[(2,5-dimethylphenyl)methyl]-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-cycloheptyl-5-[(2,5-dimethylphenyl)methyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-cycloheptyl-5-(2,5-dimethylbenzyl)-6-keto-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C30H32N2O2S MolecularWeight: 484.65228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CN2C3=C(C=CC(=C3)C(=O)NC4CCCCCC4)SC5=CC=CC=C5C2=O

Isomeric SMILES

CC1=CC(=C(C=C1)C)CN2C3=C(C=CC(=C3)C(=O)NC4CCCCCC4)SC5=CC=CC=C5C2=O

InChI

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