(2S)-2-(1-adamantylsulfanyl)-N-(thiophen-2-ylmethyl)propanamide

Systemtic Name: (2S)-2-(1-adamantylsulfanyl)-N-(thiophen-2-ylmethyl)propanamide Openeye Name: (2S)-2-(1-adamantylsulfanyl)-N-(2-thienylmethyl)propanamide CAS Name: (2S)-2-(1-adamantylthio)-N-(thiophen-2-ylmethyl)propanamide IUPAC Name: (2S)-2-(1-adamantylsulfanyl)-N-(thiophen-2-ylmethyl)propanamide Traditional Name: (2S)-2-(1-adamantylthio)-N-(2-thenyl)propionamide Formula: C18H25NOS2 MolecularWeight: 335.5272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CS1)SC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=CS1)SC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C18H25NOS2/c1-12(17(20)19-11-16-3-2-4-21-16)22-18-8-13-5-14(9-18)7-15(6-13)10-18/h2-4,12-15H,5-11H2,1H3,(H,19,20)/t12-,13?,14?,15?,18?/m0/s1