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

Systemtic Name: tert-butyl 4-[(5-chloranyl-2-methoxy-phenyl)carbamothioylamino]butanoate Openeye Name: tert-butyl 4-[(5-chloro-2-methoxy-phenyl)carbamothioylamino]butanoate CAS Name: 4-[[(5-chloro-2-methoxyanilino)-sulfanylidenemethyl]amino]butanoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(5-chloro-2-methoxyphenyl)carbamothioylamino]butanoate Traditional Name: 4-[(5-chloro-2-methoxy-phenyl)thiocarbamoylamino]butyric acid tert-butyl ester Formula: C16H23ClN2O3S MolecularWeight: 358.88342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23ClN2O3S/c1-16(2,3)22-14(20)6-5-9-18-15(23)19-12-10-11(17)7-8-13(12)21-4/h7-8,10H,5-6,9H2,1-4H3,(H2,18,19,23)