2-bromanyl-N-[4-methylsulfanyl-1-oxidanylidene-1-[(1-phenylpyrazol-4-yl)methylamino]butan-2-yl]benzamide

Systemtic Name: 2-bromanyl-N-[4-methylsulfanyl-1-oxidanylidene-1-[(1-phenylpyrazol-4-yl)methylamino]butan-2-yl]benzamide Openeye Name: 2-bromo-N-[3-methylsulfanyl-1-[(1-phenylpyrazol-4-yl)methylcarbamoyl]propyl]benzamide CAS Name: 2-bromo-N-[4-(methylthio)-1-oxo-1-[(1-phenyl-4-pyrazolyl)methylamino]butan-2-yl]benzamide IUPAC Name: 2-bromo-N-[4-methylsulfanyl-1-oxo-1-[(1-phenylpyrazol-4-yl)methylamino]butan-2-yl]benzamide Traditional Name: 2-bromo-N-[3-(methylthio)-1-[(1-phenylpyrazol-4-yl)methylcarbamoyl]propyl]benzamide Formula: C22H23BrN4O2S MolecularWeight: 487.41262

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCC1=CN(N=C1)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3Br

Isomeric SMILES

CSCCC(C(=O)NCC1=CN(N=C1)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C22H23BrN4O2S/c1-30-12-11-20(26-21(28)18-9-5-6-10-19(18)23)22(29)24-13-16-14-25-27(15-16)17-7-3-2-4-8-17/h2-10,14-15,20H,11-13H2,1H3,(H,24,29)(H,26,28)