tert-butyl 4-[(2,5-dimethoxyphenyl)carbamothioylamino]butanoate

Systemtic Name: tert-butyl 4-[(2,5-dimethoxyphenyl)carbamothioylamino]butanoate Openeye Name: tert-butyl 4-[(2,5-dimethoxyphenyl)carbamothioylamino]butanoate CAS Name: 4-[[(2,5-dimethoxyanilino)-sulfanylidenemethyl]amino]butanoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(2,5-dimethoxyphenyl)carbamothioylamino]butanoate Traditional Name: 4-[(2,5-dimethoxyphenyl)thiocarbamoylamino]butyric acid tert-butyl ester Formula: C17H26N2O4S MolecularWeight: 354.46434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCCNC(=S)NC1=C(C=CC(=C1)OC)OC

Isomeric SMILES

CC(C)(C)OC(=O)CCCNC(=S)NC1=C(C=CC(=C1)OC)OC

InChI

InChI=1S/C17H26N2O4S/c1-17(2,3)23-15(20)7-6-10-18-16(24)19-13-11-12(21-4)8-9-14(13)22-5/h8-9,11H,6-7,10H2,1-5H3,(H2,18,19,24)