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

Systemtic Name: (2R)-2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-N-(1-cyanocyclohexyl)propanamide Openeye Name: (2R)-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(1-cyanocyclohexyl)propanamide CAS Name: (2R)-2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-N-(1-cyanocyclohexyl)propanamide IUPAC Name: (2R)-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(1-cyanocyclohexyl)propanamide Traditional Name: (2R)-2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-N-(1-cyanocyclohexyl)propionamide Formula: C17H18ClN3OS2 MolecularWeight: 379.92732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCCCC1)C#N)SC2=NC3=C(S2)C=CC(=C3)Cl

Isomeric SMILES

C[C@H](C(=O)NC1(CCCCC1)C#N)SC2=NC3=C(S2)C=CC(=C3)Cl

InChI

InChI=1S/C17H18ClN3OS2/c1-11(15(22)21-17(10-19)7-3-2-4-8-17)23-16-20-13-9-12(18)5-6-14(13)24-16/h5-6,9,11H,2-4,7-8H2,1H3,(H,21,22)/t11-/m1/s1