tert-butyl N-[3-methyl-1-oxidanylidene-1-[2-(2-oxidanylideneethylsulfanyl)-3-phenyl-5-piperazin-1-yl-quinolin-4-yl]butan-2-yl]carbamate

Systemtic Name: tert-butyl N-[3-methyl-1-oxidanylidene-1-[2-(2-oxidanylideneethylsulfanyl)-3-phenyl-5-piperazin-1-yl-quinolin-4-yl]butan-2-yl]carbamate Openeye Name: tert-butyl N-[2-methyl-1-[2-(2-oxoethylsulfanyl)-3-phenyl-5-piperazin-1-yl-quinoline-4-carbonyl]propyl]carbamate CAS Name: N-[3-methyl-1-oxo-1-[2-(2-oxoethylthio)-3-phenyl-5-(1-piperazinyl)-4-quinolinyl]butan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-methyl-1-oxo-1-[2-(2-oxoethylsulfanyl)-3-phenyl-5-piperazin-1-ylquinolin-4-yl]butan-2-yl]carbamate Traditional Name: N-[1-[2-(2-ketoethylthio)-3-phenyl-5-piperazino-quinoline-4-carbonyl]-2-methyl-propyl]carbamic acid tert-butyl ester Formula: C31H38N4O4S MolecularWeight: 562.72282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)C1=C2C(=NC(=C1C3=CC=CC=C3)SCC=O)C=CC=C2N4CCNCC4)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)C(C(=O)C1=C2C(=NC(=C1C3=CC=CC=C3)SCC=O)C=CC=C2N4CCNCC4)NC(=O)OC(C)(C)C

InChI

InChI=1S/C31H38N4O4S/c1-20(2)27(34-30(38)39-31(3,4)5)28(37)26-24(21-10-7-6-8-11-21)29(40-19-18-36)33-22-12-9-13-23(25(22)26)35-16-14-32-15-17-35/h6-13,18,20,27,32H,14-17,19H2,1-5H3,(H,34,38)