tert-butyl 4-[(4-chloranyl-2,5-dimethoxy-phenyl)carbamothioylamino]butanoate

Systemtic Name: tert-butyl 4-[(4-chloranyl-2,5-dimethoxy-phenyl)carbamothioylamino]butanoate Openeye Name: tert-butyl 4-[(4-chloro-2,5-dimethoxy-phenyl)carbamothioylamino]butanoate CAS Name: 4-[[(4-chloro-2,5-dimethoxyanilino)-sulfanylidenemethyl]amino]butanoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(4-chloro-2,5-dimethoxyphenyl)carbamothioylamino]butanoate Traditional Name: 4-[(4-chloro-2,5-dimethoxy-phenyl)thiocarbamoylamino]butyric acid tert-butyl ester Formula: C17H25ClN2O4S MolecularWeight: 388.9094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCCNC(=S)NC1=CC(=C(C=C1OC)Cl)OC

Isomeric SMILES

CC(C)(C)OC(=O)CCCNC(=S)NC1=CC(=C(C=C1OC)Cl)OC

InChI

InChI=1S/C17H25ClN2O4S/c1-17(2,3)24-15(21)7-6-8-19-16(25)20-12-10-13(22-4)11(18)9-14(12)23-5/h9-10H,6-8H2,1-5H3,(H2,19,20,25)