(2S)-2-(1-adamantylsulfanyl)-N-(5-chloranyl-2-methoxy-phenyl)propanamide

Systemtic Name: (2S)-2-(1-adamantylsulfanyl)-N-(5-chloranyl-2-methoxy-phenyl)propanamide Openeye Name: (2S)-2-(1-adamantylsulfanyl)-N-(5-chloro-2-methoxy-phenyl)propanamide CAS Name: (2S)-2-(1-adamantylthio)-N-(5-chloro-2-methoxyphenyl)propanamide IUPAC Name: (2S)-2-(1-adamantylsulfanyl)-N-(5-chloro-2-methoxyphenyl)propanamide Traditional Name: (2S)-2-(1-adamantylthio)-N-(5-chloro-2-methoxy-phenyl)propionamide Formula: C20H26ClNO2S MolecularWeight: 379.94394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)Cl)OC)SC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=CC(=C1)Cl)OC)SC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H26ClNO2S/c1-12(19(23)22-17-8-16(21)3-4-18(17)24-2)25-20-9-13-5-14(10-20)7-15(6-13)11-20/h3-4,8,12-15H,5-7,9-11H2,1-2H3,(H,22,23)/t12-,13?,14?,15?,20?/m0/s1