methyl 6-[(3-chloranyl-4-methoxy-phenyl)carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[(3-chloranyl-4-methoxy-phenyl)carbamothioylamino]hexanoate Openeye Name: methyl 6-[(3-chloro-4-methoxy-phenyl)carbamothioylamino]hexanoate CAS Name: 6-[[(3-chloro-4-methoxyanilino)-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(3-chloro-4-methoxyphenyl)carbamothioylamino]hexanoate Traditional Name: 6-[(3-chloro-4-methoxy-phenyl)thiocarbamoylamino]hexanoic acid methyl ester Formula: C15H21ClN2O3S MolecularWeight: 344.85684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=S)NCCCCCC(=O)OC)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=S)NCCCCCC(=O)OC)Cl

InChI

InChI=1S/C15H21ClN2O3S/c1-20-13-8-7-11(10-12(13)16)18-15(22)17-9-5-3-4-6-14(19)21-2/h7-8,10H,3-6,9H2,1-2H3,(H2,17,18,22)