N,N-dibutyl-1-[2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-4-(2-phenylsulfanylethanoylamino)phenyl]-5-methyl-pyrazole-3-carboxamide

Systemtic Name: N,N-dibutyl-1-[2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-4-(2-phenylsulfanylethanoylamino)phenyl]-5-methyl-pyrazole-3-carboxamide Openeye Name: N,N-dibutyl-1-[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-[(2-phenylsulfanylacetyl)amino]phenyl]-5-methyl-pyrazole-3-carboxamide CAS Name: N,N-dibutyl-1-[2-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-4-[[1-oxo-2-(phenylthio)ethyl]amino]phenyl]-5-methyl-3-pyrazolecarboxamide IUPAC Name: N,N-dibutyl-1-[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-[(2-phenylsulfanylacetyl)amino]phenyl]-5-methylpyrazole-3-carboxamide Traditional Name: N,N-dibutyl-1-[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-[[2-(phenylthio)acetyl]amino]phenyl]-5-methyl-pyrazole-3-carboxamide Formula: C37H43N5O3S MolecularWeight: 637.83402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C(=O)C1=NN(C(=C1)C)C2=C(C=C(C=C2)NC(=O)CSC3=CC=CC=C3)C(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CCCCN(CCCC)C(=O)C1=NN(C(=C1)C)C2=C(C=C(C=C2)NC(=O)CSC3=CC=CC=C3)C(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C37H43N5O3S/c1-4-6-20-40(21-7-5-2)37(45)33-23-27(3)42(39-33)34-18-17-30(38-35(43)26-46-31-15-9-8-10-16-31)24-32(34)36(44)41-22-19-28-13-11-12-14-29(28)25-41/h8-18,23-24H,4-7,19-22,25-26H2,1-3H3,(H,38,43)