N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[4-(1-adamantyl)thiazol-2-yl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[4-(1-adamantyl)-2-thiazolyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: N-[4-(1-adamantyl)thiazol-2-yl]-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C23H25N3O2S2 MolecularWeight: 439.5935

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)NC3=NC(=CS3)C45CC6CC(C4)CC(C6)C5)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)NC3=NC(=CS3)C45CC6CC(C4)CC(C6)C5)NC1=O

InChI

InChI=1S/C23H25N3O2S2/c27-20-3-4-29-18-2-1-16(8-17(18)24-20)21(28)26-22-25-19(12-30-22)23-9-13-5-14(10-23)7-15(6-13)11-23/h1-2,8,12-15H,3-7,9-11H2,(H,24,27)(H,25,26,28)