(2S)-N-(1-adamantyl)-2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]propanamide

Systemtic Name: (2S)-N-(1-adamantyl)-2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]propanamide Openeye Name: (2S)-N-(1-adamantyl)-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]propanamide CAS Name: (2S)-N-(1-adamantyl)-2-[(5-chloro-1,3-benzothiazol-2-yl)thio]propanamide IUPAC Name: (2S)-N-(1-adamantyl)-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]propanamide Traditional Name: (2S)-N-(1-adamantyl)-2-[(5-chloro-1,3-benzothiazol-2-yl)thio]propionamide Formula: C20H23ClN2OS2 MolecularWeight: 406.99242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NC5=C(S4)C=CC(=C5)Cl

Isomeric SMILES

C[C@@H](C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NC5=C(S4)C=CC(=C5)Cl

InChI

InChI=1S/C20H23ClN2OS2/c1-11(25-19-22-16-7-15(21)2-3-17(16)26-19)18(24)23-20-8-12-4-13(9-20)6-14(5-12)10-20/h2-3,7,11-14H,4-6,8-10H2,1H3,(H,23,24)/t11-,12?,13?,14?,20?/m0/s1