N-(1-adamantyl)-2-(4H-3,1-benzothiazin-2-ylsulfanyl)propanamide

Systemtic Name: N-(1-adamantyl)-2-(4H-3,1-benzothiazin-2-ylsulfanyl)propanamide Openeye Name: N-(1-adamantyl)-2-(4H-3,1-benzothiazin-2-ylsulfanyl)propanamide CAS Name: N-(1-adamantyl)-2-(4H-3,1-benzothiazin-2-ylthio)propanamide IUPAC Name: N-(1-adamantyl)-2-(4H-3,1-benzothiazin-2-ylsulfanyl)propanamide Traditional Name: N-(1-adamantyl)-2-(4H-3,1-benzothiazin-2-ylthio)propionamide Formula: C21H26N2OS2 MolecularWeight: 386.57394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NC5=CC=CC=C5CS4

Isomeric SMILES

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NC5=CC=CC=C5CS4

InChI

InChI=1S/C21H26N2OS2/c1-13(26-20-22-18-5-3-2-4-17(18)12-25-20)19(24)23-21-9-14-6-15(10-21)8-16(7-14)11-21/h2-5,13-16H,6-12H2,1H3,(H,23,24)