4-bromanyl-N-(2-morpholin-4-ylethyl)-3-[[2-(quinolin-8-ylsulfanylmethyl)phenyl]carbonylamino]-1H-pyrazole-5-carboxamide

Systemtic Name: 4-bromanyl-N-(2-morpholin-4-ylethyl)-3-[[2-(quinolin-8-ylsulfanylmethyl)phenyl]carbonylamino]-1H-pyrazole-5-carboxamide Openeye Name: 4-bromo-N-(2-morpholinoethyl)-3-[[2-(8-quinolylsulfanylmethyl)benzoyl]amino]-1H-pyrazole-5-carboxamide CAS Name: 4-bromo-N-[2-(4-morpholinyl)ethyl]-3-[[oxo-[2-[(8-quinolinylthio)methyl]phenyl]methyl]amino]-1H-pyrazole-5-carboxamide IUPAC Name: 4-bromo-N-(2-morpholin-4-ylethyl)-3-[[2-(quinolin-8-ylsulfanylmethyl)benzoyl]amino]-1H-pyrazole-5-carboxamide Traditional Name: 4-bromo-N-(2-morpholinoethyl)-3-[[2-[(8-quinolylthio)methyl]benzoyl]amino]-1H-pyrazole-5-carboxamide Formula: C27H27BrN6O3S MolecularWeight: 595.51068

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCNC(=O)C2=C(C(=NN2)NC(=O)C3=CC=CC=C3CSC4=CC=CC5=C4N=CC=C5)Br

Isomeric SMILES

C1COCCN1CCNC(=O)C2=C(C(=NN2)NC(=O)C3=CC=CC=C3CSC4=CC=CC5=C4N=CC=C5)Br

InChI

InChI=1S/C27H27BrN6O3S/c28-22-24(27(36)30-11-12-34-13-15-37-16-14-34)32-33-25(22)31-26(35)20-8-2-1-5-19(20)17-38-21-9-3-6-18-7-4-10-29-23(18)21/h1-10H,11-17H2,(H,30,36)(H2,31,32,33,35)