ethyl 4-[(3,4-dichlorophenyl)methylcarbamothioylamino]butanoate

Systemtic Name: ethyl 4-[(3,4-dichlorophenyl)methylcarbamothioylamino]butanoate Openeye Name: ethyl 4-[(3,4-dichlorophenyl)methylcarbamothioylamino]butanoate CAS Name: 4-[[[(3,4-dichlorophenyl)methylamino]-sulfanylidenemethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[(3,4-dichlorophenyl)methylcarbamothioylamino]butanoate Traditional Name: 4-[(3,4-dichlorobenzyl)thiocarbamoylamino]butyric acid ethyl ester Formula: C14H18Cl2N2O2S MolecularWeight: 349.27592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18Cl2N2O2S/c1-2-20-13(19)4-3-7-17-14(21)18-9-10-5-6-11(15)12(16)8-10/h5-6,8H,2-4,7,9H2,1H3,(H2,17,18,21)