5-[[5-(2-bromanylprop-2-enoylamino)-1-benzothiophen-2-yl]carbonylamino]-N-[3-(dimethylamino)propyl]-2-methyl-pyrazole-3-carboxamide

Systemtic Name: 5-[[5-(2-bromanylprop-2-enoylamino)-1-benzothiophen-2-yl]carbonylamino]-N-[3-(dimethylamino)propyl]-2-methyl-pyrazole-3-carboxamide Openeye Name: 5-[[5-(2-bromoprop-2-enoylamino)benzothiophene-2-carbonyl]amino]-N-[3-(dimethylamino)propyl]-2-methyl-pyrazole-3-carboxamide CAS Name: 5-[[[5-[(2-bromo-1-oxoprop-2-enyl)amino]-1-benzothiophen-2-yl]-oxomethyl]amino]-N-[3-(dimethylamino)propyl]-2-methyl-3-pyrazolecarboxamide IUPAC Name: 5-[[5-(2-bromoprop-2-enoylamino)-1-benzothiophene-2-carbonyl]amino]-N-[3-(dimethylamino)propyl]-2-methylpyrazole-3-carboxamide Traditional Name: 5-[[5-[(2-bromoacryloyl)amino]benzothiophene-2-carbonyl]amino]-N-[3-(dimethylamino)propyl]-2-methyl-pyrazole-3-carboxamide Formula: C22H25BrN6O3S MolecularWeight: 533.4413

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=N1)NC(=O)C2=CC3=C(S2)C=CC(=C3)NC(=O)C(=C)Br)C(=O)NCCCN(C)C

Isomeric SMILES

CN1C(=CC(=N1)NC(=O)C2=CC3=C(S2)C=CC(=C3)NC(=O)C(=C)Br)C(=O)NCCCN(C)C

InChI

InChI=1S/C22H25BrN6O3S/c1-13(23)20(30)25-15-6-7-17-14(10-15)11-18(33-17)22(32)26-19-12-16(29(4)27-19)21(31)24-8-5-9-28(2)3/h6-7,10-12H,1,5,8-9H2,2-4H3,(H,24,31)(H,25,30)(H,26,27,32)