tert-butyl N-[(2S)-1-[[4-(1-methyl-2-oxidanylidene-quinolin-4-yl)sulfanylphenyl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-1-[[4-(1-methyl-2-oxidanylidene-quinolin-4-yl)sulfanylphenyl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-benzyl-2-[4-[(1-methyl-2-oxo-4-quinolyl)sulfanyl]anilino]-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-1-[4-[(1-methyl-2-oxo-4-quinolinyl)thio]anilino]-1-oxo-3-phenylpropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-[4-(1-methyl-2-oxoquinolin-4-yl)sulfanylanilino]-1-oxo-3-phenylpropan-2-yl]carbamate Traditional Name: N-[(1S)-1-benzyl-2-keto-2-[4-[(2-keto-1-methyl-4-quinolyl)thio]anilino]ethyl]carbamic acid tert-butyl ester Formula: C30H31N3O4S MolecularWeight: 529.64984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)SC3=CC(=O)N(C4=CC=CC=C43)C

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)SC3=CC(=O)N(C4=CC=CC=C43)C

InChI

InChI=1S/C30H31N3O4S/c1-30(2,3)37-29(36)32-24(18-20-10-6-5-7-11-20)28(35)31-21-14-16-22(17-15-21)38-26-19-27(34)33(4)25-13-9-8-12-23(25)26/h5-17,19,24H,18H2,1-4H3,(H,31,35)(H,32,36)/t24-/m0/s1