N-[[4-(cyclopropylcarbonylamino)phenyl]methyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine-3-carboxamide

Systemtic Name: N-[[4-(cyclopropylcarbonylamino)phenyl]methyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine-3-carboxamide Openeye Name: N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine-3-carboxamide CAS Name: N-[[4-[[cyclopropyl(oxo)methyl]amino]phenyl]methyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-3-pyridinecarboxamide IUPAC Name: N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine-3-carboxamide Traditional Name: N-[4-(cyclopropanecarbonylamino)benzyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)nicotinamide Formula: C25H23N3O4S MolecularWeight: 461.53282

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NC2=CC=C(C=C2)CNC(=O)C3=C(N=CC=C3)SC4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1CC1C(=O)NC2=CC=C(C=C2)CNC(=O)C3=C(N=CC=C3)SC4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C25H23N3O4S/c29-23(17-5-6-17)28-18-7-3-16(4-8-18)15-27-24(30)20-2-1-11-26-25(20)33-19-9-10-21-22(14-19)32-13-12-31-21/h1-4,7-11,14,17H,5-6,12-13,15H2,(H,27,30)(H,28,29)