tert-butyl N-[(2S)-4-methylsulfanyl-1-oxidanylidene-1-(quinolin-8-ylamino)butan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-4-methylsulfanyl-1-oxidanylidene-1-(quinolin-8-ylamino)butan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-3-methylsulfanyl-1-(8-quinolylcarbamoyl)propyl]carbamate CAS Name: N-[(2S)-4-(methylthio)-1-oxo-1-(8-quinolinylamino)butan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-4-methylsulfanyl-1-oxo-1-(quinolin-8-ylamino)butan-2-yl]carbamate Traditional Name: N-[(1S)-3-(methylthio)-1-(8-quinolylcarbamoyl)propyl]carbamic acid tert-butyl ester Formula: C19H25N3O3S MolecularWeight: 375.4851

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCSC)C(=O)NC1=CC=CC2=C1N=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CCSC)C(=O)NC1=CC=CC2=C1N=CC=C2

InChI

InChI=1S/C19H25N3O3S/c1-19(2,3)25-18(24)22-15(10-12-26-4)17(23)21-14-9-5-7-13-8-6-11-20-16(13)14/h5-9,11,15H,10,12H2,1-4H3,(H,21,23)(H,22,24)/t15-/m0/s1