N-(1-adamantyl)-3-methyl-5-oxidanylidene-4-[(3,4,5-trimethoxyphenyl)methyl]-2H-1,4-benzothiazepine-3-carboxamide

Systemtic Name: N-(1-adamantyl)-3-methyl-5-oxidanylidene-4-[(3,4,5-trimethoxyphenyl)methyl]-2H-1,4-benzothiazepine-3-carboxamide Openeye Name: N-(1-adamantyl)-3-methyl-5-oxo-4-[(3,4,5-trimethoxyphenyl)methyl]-2H-1,4-benzothiazepine-3-carboxamide CAS Name: N-(1-adamantyl)-3-methyl-5-oxo-4-[(3,4,5-trimethoxyphenyl)methyl]-2H-1,4-benzothiazepine-3-carboxamide IUPAC Name: N-(1-adamantyl)-3-methyl-5-oxo-4-[(3,4,5-trimethoxyphenyl)methyl]-2H-1,4-benzothiazepine-3-carboxamide Traditional Name: N-(1-adamantyl)-5-keto-3-methyl-4-(3,4,5-trimethoxybenzyl)-2H-1,4-benzothiazepine-3-carboxamide Formula: C31H38N2O5S MolecularWeight: 550.70882

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CSC2=CC=CC=C2C(=O)N1CC3=CC(=C(C(=C3)OC)OC)OC)C(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1(CSC2=CC=CC=C2C(=O)N1CC3=CC(=C(C(=C3)OC)OC)OC)C(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C31H38N2O5S/c1-30(29(35)32-31-14-19-9-20(15-31)11-21(10-19)16-31)18-39-26-8-6-5-7-23(26)28(34)33(30)17-22-12-24(36-2)27(38-4)25(13-22)37-3/h5-8,12-13,19-21H,9-11,14-18H2,1-4H3,(H,32,35)