(2S)-2-[(3-chloranyl-2-methyl-phenyl)carbamothioylamino]-N-ethyl-propanamide

Systemtic Name: (2S)-2-[(3-chloranyl-2-methyl-phenyl)carbamothioylamino]-N-ethyl-propanamide Openeye Name: (2S)-2-[(3-chloro-2-methyl-phenyl)carbamothioylamino]-N-ethyl-propanamide CAS Name: (2S)-2-[[(3-chloro-2-methylanilino)-sulfanylidenemethyl]amino]-N-ethylpropanamide IUPAC Name: (2S)-2-[(3-chloro-2-methylphenyl)carbamothioylamino]-N-ethylpropanamide Traditional Name: (2S)-2-[(3-chloro-2-methyl-phenyl)thiocarbamoylamino]-N-ethyl-propionamide Formula: C13H18ClN3OS MolecularWeight: 299.81952

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)NC(=S)NC1=C(C(=CC=C1)Cl)C

Isomeric SMILES

CCNC(=O)[C@H](C)NC(=S)NC1=C(C(=CC=C1)Cl)C

InChI

InChI=1S/C13H18ClN3OS/c1-4-15-12(18)9(3)16-13(19)17-11-7-5-6-10(14)8(11)2/h5-7,9H,4H2,1-3H3,(H,15,18)(H2,16,17,19)/t9-/m0/s1