N-[3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoylamino]phenyl]-2-pyrazol-1-yl-propanamide

Systemtic Name: N-[3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoylamino]phenyl]-2-pyrazol-1-yl-propanamide Openeye Name: N-[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]phenyl]-2-pyrazol-1-yl-propanamide CAS Name: N-[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-1-oxoethyl]amino]phenyl]-2-(1-pyrazolyl)propanamide IUPAC Name: N-[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide Traditional Name: N-[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)acetyl]amino]phenyl]-2-pyrazol-1-yl-propionamide Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)NC(=O)CSC2=CC3=C(C=C2)OCCO3)N4C=CC=N4

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)NC(=O)CSC2=CC3=C(C=C2)OCCO3)N4C=CC=N4

InChI

InChI=1S/C22H22N4O4S/c1-15(26-9-3-8-23-26)22(28)25-17-5-2-4-16(12-17)24-21(27)14-31-18-6-7-19-20(13-18)30-11-10-29-19/h2-9,12-13,15H,10-11,14H2,1H3,(H,24,27)(H,25,28)