tert-butyl N-[4-methyl-1-(quinolin-3-ylmethylsulfanyl)pentan-2-yl]carbamate

Systemtic Name: tert-butyl N-[4-methyl-1-(quinolin-3-ylmethylsulfanyl)pentan-2-yl]carbamate Openeye Name: tert-butyl N-[3-methyl-1-(3-quinolylmethylsulfanylmethyl)butyl]carbamate CAS Name: N-[4-methyl-1-(3-quinolinylmethylthio)pentan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-methyl-1-(quinolin-3-ylmethylsulfanyl)pentan-2-yl]carbamate Traditional Name: N-[3-methyl-1-[(3-quinolylmethylthio)methyl]butyl]carbamic acid tert-butyl ester Formula: C21H30N2O2S MolecularWeight: 374.5401

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CSCC1=CC2=CC=CC=C2N=C1)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)CC(CSCC1=CC2=CC=CC=C2N=C1)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H30N2O2S/c1-15(2)10-18(23-20(24)25-21(3,4)5)14-26-13-16-11-17-8-6-7-9-19(17)22-12-16/h6-9,11-12,15,18H,10,13-14H2,1-5H3,(H,23,24)