N-[4-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-4-oxidanylidene-butyl]adamantane-1-carboxamide

Systemtic Name: N-[4-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-4-oxidanylidene-butyl]adamantane-1-carboxamide Openeye Name: N-[4-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-4-oxo-butyl]adamantane-1-carboxamide CAS Name: N-[4-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-4-oxobutyl]-1-adamantanecarboxamide IUPAC Name: N-[4-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-4-oxobutyl]adamantane-1-carboxamide Traditional Name: N-[4-keto-4-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)butyl]adamantane-1-carboxamide Formula: C25H34N2O2S MolecularWeight: 426.61466

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)CCCNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)CCCNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H34N2O2S/c1-17-8-10-27(21-5-2-3-6-22(21)30-17)23(28)7-4-9-26-24(29)25-14-18-11-19(15-25)13-20(12-18)16-25/h2-3,5-6,17-20H,4,7-16H2,1H3,(H,26,29)