N'-(1-adamantylcarbonyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide

Systemtic Name: N'-(1-adamantylcarbonyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide Openeye Name: N'-(adamantane-1-carbonyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide CAS Name: N'-[1-adamantyl(oxo)methyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide IUPAC Name: N'-(adamantane-1-carbonyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide Traditional Name: N'-(adamantane-1-carbonyl)-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide Formula: C21H25N3O3S MolecularWeight: 399.5065

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)NNC(=O)C34CC5CC(C3)CC(C5)C4)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)NNC(=O)C34CC5CC(C3)CC(C5)C4)NC1=O

InChI

InChI=1S/C21H25N3O3S/c25-18-3-4-28-17-2-1-15(8-16(17)22-18)19(26)23-24-20(27)21-9-12-5-13(10-21)7-14(6-12)11-21/h1-2,8,12-14H,3-7,9-11H2,(H,22,25)(H,23,26)(H,24,27)