tert-butyl N-[1-oxidanylidene-3-(phenylmethylsulfanyl)-1-(quinolin-6-ylamino)propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[1-oxidanylidene-3-(phenylmethylsulfanyl)-1-(quinolin-6-ylamino)propan-2-yl]carbamate Openeye Name: tert-butyl N-[1-(benzylsulfanylmethyl)-2-oxo-2-(6-quinolylamino)ethyl]carbamate CAS Name: N-[1-oxo-3-(phenylmethylthio)-1-(6-quinolinylamino)propan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-benzylsulfanyl-1-oxo-1-(quinolin-6-ylamino)propan-2-yl]carbamate Traditional Name: N-[1-[(benzylthio)methyl]-2-keto-2-(6-quinolylamino)ethyl]carbamic acid tert-butyl ester Formula: C24H27N3O3S MolecularWeight: 437.55448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CSCC1=CC=CC=C1)C(=O)NC2=CC3=C(C=C2)N=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)NC(CSCC1=CC=CC=C1)C(=O)NC2=CC3=C(C=C2)N=CC=C3

InChI

InChI=1S/C24H27N3O3S/c1-24(2,3)30-23(29)27-21(16-31-15-17-8-5-4-6-9-17)22(28)26-19-11-12-20-18(14-19)10-7-13-25-20/h4-14,21H,15-16H2,1-3H3,(H,26,28)(H,27,29)