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

Systemtic Name: tert-butyl N-[3-methyl-1-oxidanylidene-1-[4-[4-(2-quinolin-4-ylsulfanylethanoyl)phenyl]piperazin-1-yl]butan-2-yl]carbamate Openeye Name: tert-butyl N-[2-methyl-1-[4-[4-[2-(4-quinolylsulfanyl)acetyl]phenyl]piperazine-1-carbonyl]propyl]carbamate CAS Name: N-[3-methyl-1-oxo-1-[4-[4-[1-oxo-2-(4-quinolinylthio)ethyl]phenyl]-1-piperazinyl]butan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-methyl-1-oxo-1-[4-[4-(2-quinolin-4-ylsulfanylacetyl)phenyl]piperazin-1-yl]butan-2-yl]carbamate Traditional Name: N-[2-methyl-1-[4-[4-[2-(4-quinolylthio)acetyl]phenyl]piperazine-1-carbonyl]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)N1CCN(CC1)C2=CC=C(C=C2)C(=O)CSC3=CC=NC4=CC=CC=C43)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)C(C(=O)N1CCN(CC1)C2=CC=C(C=C2)C(=O)CSC3=CC=NC4=CC=CC=C43)NC(=O)OC(C)(C)C

InChI

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