(2S)-2-[2-(4-chlorophenyl)sulfanylethylcarbamothioylamino]-N-ethyl-propanamide

Systemtic Name: (2S)-2-[2-(4-chlorophenyl)sulfanylethylcarbamothioylamino]-N-ethyl-propanamide Openeye Name: (2S)-2-[2-(4-chlorophenyl)sulfanylethylcarbamothioylamino]-N-ethyl-propanamide CAS Name: (2S)-2-[[[2-[(4-chlorophenyl)thio]ethylamino]-sulfanylidenemethyl]amino]-N-ethylpropanamide IUPAC Name: (2S)-2-[2-(4-chlorophenyl)sulfanylethylcarbamothioylamino]-N-ethylpropanamide Traditional Name: (2S)-2-[2-[(4-chlorophenyl)thio]ethylthiocarbamoylamino]-N-ethyl-propionamide Formula: C14H20ClN3OS2 MolecularWeight: 345.9111

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)NC(=S)NCCSC1=CC=C(C=C1)Cl

Isomeric SMILES

CCNC(=O)[C@H](C)NC(=S)NCCSC1=CC=C(C=C1)Cl

InChI

InChI=1S/C14H20ClN3OS2/c1-3-16-13(19)10(2)18-14(20)17-8-9-21-12-6-4-11(15)5-7-12/h4-7,10H,3,8-9H2,1-2H3,(H,16,19)(H2,17,18,20)/t10-/m0/s1