tert-butyl 4-[(3-chloranyl-2-methyl-phenyl)carbamothioylamino]butanoate

Systemtic Name: tert-butyl 4-[(3-chloranyl-2-methyl-phenyl)carbamothioylamino]butanoate Openeye Name: tert-butyl 4-[(3-chloro-2-methyl-phenyl)carbamothioylamino]butanoate CAS Name: 4-[[(3-chloro-2-methylanilino)-sulfanylidenemethyl]amino]butanoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(3-chloro-2-methylphenyl)carbamothioylamino]butanoate Traditional Name: 4-[(3-chloro-2-methyl-phenyl)thiocarbamoylamino]butyric acid tert-butyl ester Formula: C16H23ClN2O2S MolecularWeight: 342.88402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)NCCCC(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)NCCCC(=O)OC(C)(C)C

InChI

InChI=1S/C16H23ClN2O2S/c1-11-12(17)7-5-8-13(11)19-15(22)18-10-6-9-14(20)21-16(2,3)4/h5,7-8H,6,9-10H2,1-4H3,(H2,18,19,22)