(2S)-2-[2-(8-chloranylnaphthalen-1-yl)sulfanylethanoylamino]-N-propyl-propanamide

Systemtic Name: (2S)-2-[2-(8-chloranylnaphthalen-1-yl)sulfanylethanoylamino]-N-propyl-propanamide Openeye Name: (2S)-2-[[2-[(8-chloro-1-naphthyl)sulfanyl]acetyl]amino]-N-propyl-propanamide CAS Name: (2S)-2-[[2-[(8-chloro-1-naphthalenyl)thio]-1-oxoethyl]amino]-N-propylpropanamide IUPAC Name: (2S)-2-[[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]amino]-N-propylpropanamide Traditional Name: (2S)-2-[[2-[(8-chloro-1-naphthyl)thio]acetyl]amino]-N-propyl-propionamide Formula: C18H21ClN2O2S MolecularWeight: 364.88954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)NC(=O)CSC1=CC=CC2=C1C(=CC=C2)Cl

Isomeric SMILES

CCCNC(=O)[C@H](C)NC(=O)CSC1=CC=CC2=C1C(=CC=C2)Cl

InChI

InChI=1S/C18H21ClN2O2S/c1-3-10-20-18(23)12(2)21-16(22)11-24-15-9-5-7-13-6-4-8-14(19)17(13)15/h4-9,12H,3,10-11H2,1-2H3,(H,20,23)(H,21,22)/t12-/m0/s1