tert-butyl N-[1-(2-carbamothioyl-4-chloranyl-phenyl)-3-oxidanyl-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[1-(2-carbamothioyl-4-chloranyl-phenyl)-3-oxidanyl-propan-2-yl]carbamate Openeye Name: tert-butyl N-[1-[(2-carbamothioyl-4-chloro-phenyl)methyl]-2-hydroxy-ethyl]carbamate CAS Name: N-[1-(2-carbamothioyl-4-chlorophenyl)-3-hydroxypropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-(2-carbamothioyl-4-chlorophenyl)-3-hydroxypropan-2-yl]carbamate Traditional Name: N-[1-(4-chloro-2-thiocarbamoyl-benzyl)-2-hydroxy-ethyl]carbamic acid tert-butyl ester Formula: C15H21ClN2O3S MolecularWeight: 344.85684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=C(C=C(C=C1)Cl)C(=S)N)CO

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=C(C=C(C=C1)Cl)C(=S)N)CO

InChI

InChI=1S/C15H21ClN2O3S/c1-15(2,3)21-14(20)18-11(8-19)6-9-4-5-10(16)7-12(9)13(17)22/h4-5,7,11,19H,6,8H2,1-3H3,(H2,17,22)(H,18,20)