tert-butyl 4-[(3,4-dichlorophenyl)methylcarbamothioylamino]butanoate

Systemtic Name: tert-butyl 4-[(3,4-dichlorophenyl)methylcarbamothioylamino]butanoate Openeye Name: tert-butyl 4-[(3,4-dichlorophenyl)methylcarbamothioylamino]butanoate CAS Name: 4-[[[(3,4-dichlorophenyl)methylamino]-sulfanylidenemethyl]amino]butanoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(3,4-dichlorophenyl)methylcarbamothioylamino]butanoate Traditional Name: 4-[(3,4-dichlorobenzyl)thiocarbamoylamino]butyric acid tert-butyl ester Formula: C16H22Cl2N2O2S MolecularWeight: 377.32908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCCNC(=S)NCC1=CC(=C(C=C1)Cl)Cl

Isomeric SMILES

CC(C)(C)OC(=O)CCCNC(=S)NCC1=CC(=C(C=C1)Cl)Cl

InChI

InChI=1S/C16H22Cl2N2O2S/c1-16(2,3)22-14(21)5-4-8-19-15(23)20-10-11-6-7-12(17)13(18)9-11/h6-7,9H,4-5,8,10H2,1-3H3,(H2,19,20,23)