tert-butyl N-[1-[(3-chlorophenyl)amino]-4-methylsulfanyl-butan-2-yl]carbamate

Systemtic Name: tert-butyl N-[1-[(3-chlorophenyl)amino]-4-methylsulfanyl-butan-2-yl]carbamate Openeye Name: tert-butyl N-[1-[(3-chloroanilino)methyl]-3-methylsulfanyl-propyl]carbamate CAS Name: N-[1-(3-chloroanilino)-4-(methylthio)butan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-(3-chloroanilino)-4-methylsulfanylbutan-2-yl]carbamate Traditional Name: N-[1-[(3-chloroanilino)methyl]-3-(methylthio)propyl]carbamic acid tert-butyl ester Formula: C16H25ClN2O2S MolecularWeight: 344.8999

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCSC)CNC1=CC(=CC=C1)Cl

Isomeric SMILES

CC(C)(C)OC(=O)NC(CCSC)CNC1=CC(=CC=C1)Cl

InChI

InChI=1S/C16H25ClN2O2S/c1-16(2,3)21-15(20)19-14(8-9-22-4)11-18-13-7-5-6-12(17)10-13/h5-7,10,14,18H,8-9,11H2,1-4H3,(H,19,20)