[1-[2-[[4-[[[(2R)-2-oxidanyl-2-(8-oxidanyl-2-oxidanylidene-1H-quinolin-5-yl)ethyl]amino]methyl]phenyl]carbonylamino]ethyl]piperidin-4-yl] N-(2-thiophen-3-ylphenyl)carbamate

Systemtic Name: [1-[2-[[4-[[[(2R)-2-oxidanyl-2-(8-oxidanyl-2-oxidanylidene-1H-quinolin-5-yl)ethyl]amino]methyl]phenyl]carbonylamino]ethyl]piperidin-4-yl] N-(2-thiophen-3-ylphenyl)carbamate Openeye Name: [1-[2-[[4-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]benzoyl]amino]ethyl]-4-piperidyl] N-[2-(3-thienyl)phenyl]carbamate CAS Name: N-[2-(3-thiophenyl)phenyl]carbamic acid [1-[2-[[[4-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]phenyl]-oxomethyl]amino]ethyl]-4-piperidinyl] ester IUPAC Name: [1-[2-[[4-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]benzoyl]amino]ethyl]piperidin-4-yl] N-(2-thiophen-3-ylphenyl)carbamate Traditional Name: N-[2-(3-thienyl)phenyl]carbamic acid [1-[2-[[4-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-keto-1H-quinolin-5-yl)ethyl]amino]methyl]benzoyl]amino]ethyl]-4-piperidyl] ester Formula: C37H39N5O6S MolecularWeight: 681.80046

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC(=O)NC2=CC=CC=C2C3=CSC=C3)CCNC(=O)C4=CC=C(C=C4)CNCC(C5=C6C=CC(=O)NC6=C(C=C5)O)O

Isomeric SMILES

C1CN(CCC1OC(=O)NC2=CC=CC=C2C3=CSC=C3)CCNC(=O)C4=CC=C(C=C4)CNC[C@@H](C5=C6C=CC(=O)NC6=C(C=C5)O)O

InChI

InChI=1S/C37H39N5O6S/c43-32-11-9-29(30-10-12-34(45)41-35(30)32)33(44)22-38-21-24-5-7-25(8-6-24)36(46)39-16-19-42-17-13-27(14-18-42)48-37(47)40-31-4-2-1-3-28(31)26-15-20-49-23-26/h1-12,15,20,23,27,33,38,43-44H,13-14,16-19,21-22H2,(H,39,46)(H,40,47)(H,41,45)/t33-/m0/s1