tert-butyl 4-[(2-chlorophenyl)carbamothioylamino]butanoate

Systemtic Name: tert-butyl 4-[(2-chlorophenyl)carbamothioylamino]butanoate Openeye Name: tert-butyl 4-[(2-chlorophenyl)carbamothioylamino]butanoate CAS Name: 4-[[(2-chloroanilino)-sulfanylidenemethyl]amino]butanoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(2-chlorophenyl)carbamothioylamino]butanoate Traditional Name: 4-[(2-chlorophenyl)thiocarbamoylamino]butyric acid tert-butyl ester Formula: C15H21ClN2O2S MolecularWeight: 328.85744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCCNC(=S)NC1=CC=CC=C1Cl

Isomeric SMILES

CC(C)(C)OC(=O)CCCNC(=S)NC1=CC=CC=C1Cl

InChI

InChI=1S/C15H21ClN2O2S/c1-15(2,3)20-13(19)9-6-10-17-14(21)18-12-8-5-4-7-11(12)16/h4-5,7-8H,6,9-10H2,1-3H3,(H2,17,18,21)