(2S)-2-[(3-chloranyl-4-methyl-phenyl)carbamothioylamino]-N-propyl-propanamide

Systemtic Name: (2S)-2-[(3-chloranyl-4-methyl-phenyl)carbamothioylamino]-N-propyl-propanamide Openeye Name: (2S)-2-[(3-chloro-4-methyl-phenyl)carbamothioylamino]-N-propyl-propanamide CAS Name: (2S)-2-[[(3-chloro-4-methylanilino)-sulfanylidenemethyl]amino]-N-propylpropanamide IUPAC Name: (2S)-2-[(3-chloro-4-methylphenyl)carbamothioylamino]-N-propylpropanamide Traditional Name: (2S)-2-[(3-chloro-4-methyl-phenyl)thiocarbamoylamino]-N-propyl-propionamide Formula: C14H20ClN3OS MolecularWeight: 313.8461

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20ClN3OS/c1-4-7-16-13(19)10(3)17-14(20)18-11-6-5-9(2)12(15)8-11/h5-6,8,10H,4,7H2,1-3H3,(H,16,19)(H2,17,18,20)/t10-/m0/s1