N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(5-methylisoxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(5-methyl-3-isoxazolyl)methylthio]-3-pyridinecarboxamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(5-methylisoxazol-3-yl)methylthio]nicotinamide Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CSC2=C(C=CC=N2)C(=O)NC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=CC(=NO1)CSC2=C(C=CC=N2)C(=O)NC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C20H19N3O4S/c1-13-10-15(23-27-13)12-28-20-16(4-2-7-21-20)19(24)22-14-5-6-17-18(11-14)26-9-3-8-25-17/h2,4-7,10-11H,3,8-9,12H2,1H3,(H,22,24)