pentyl 2-[(4-chloranyl-2-methyl-phenyl)carbamothioylamino]ethanoate

Systemtic Name: pentyl 2-[(4-chloranyl-2-methyl-phenyl)carbamothioylamino]ethanoate Openeye Name: pentyl 2-[(4-chloro-2-methyl-phenyl)carbamothioylamino]acetate CAS Name: 2-[[(4-chloro-2-methylanilino)-sulfanylidenemethyl]amino]acetic acid pentyl ester IUPAC Name: pentyl 2-[(4-chloro-2-methylphenyl)carbamothioylamino]acetate Traditional Name: 2-[(4-chloro-2-methyl-phenyl)thiocarbamoylamino]acetic acid amyl ester Formula: C15H21ClN2O2S MolecularWeight: 328.85744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)CNC(=S)NC1=C(C=C(C=C1)Cl)C

Isomeric SMILES

CCCCCOC(=O)CNC(=S)NC1=C(C=C(C=C1)Cl)C

InChI

InChI=1S/C15H21ClN2O2S/c1-3-4-5-8-20-14(19)10-17-15(21)18-13-7-6-12(16)9-11(13)2/h6-7,9H,3-5,8,10H2,1-2H3,(H2,17,18,21)