(2S)-2-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethanoylamino]-N-ethyl-propanamide

Systemtic Name: (2S)-2-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethanoylamino]-N-ethyl-propanamide Openeye Name: (2S)-2-[[2-[(3,4-dichlorophenyl)methylsulfanyl]acetyl]amino]-N-ethyl-propanamide CAS Name: (2S)-2-[[2-[(3,4-dichlorophenyl)methylthio]-1-oxoethyl]amino]-N-ethylpropanamide IUPAC Name: (2S)-2-[[2-[(3,4-dichlorophenyl)methylsulfanyl]acetyl]amino]-N-ethylpropanamide Traditional Name: (2S)-2-[[2-[(3,4-dichlorobenzyl)thio]acetyl]amino]-N-ethyl-propionamide Formula: C14H18Cl2N2O2S MolecularWeight: 349.27592

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)NC(=O)CSCC1=CC(=C(C=C1)Cl)Cl

Isomeric SMILES

CCNC(=O)[C@H](C)NC(=O)CSCC1=CC(=C(C=C1)Cl)Cl

InChI

InChI=1S/C14H18Cl2N2O2S/c1-3-17-14(20)9(2)18-13(19)8-21-7-10-4-5-11(15)12(16)6-10/h4-6,9H,3,7-8H2,1-2H3,(H,17,20)(H,18,19)/t9-/m0/s1