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

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(5-methylisoxazol-3-yl)methylsulfanyl]benzamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(5-methyl-3-isoxazolyl)methylthio]benzamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(5-methylisoxazol-3-yl)methylthio]benzamide Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CSC2=CC=CC=C2C(=O)NC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=CC(=NO1)CSC2=CC=CC=C2C(=O)NC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H20N2O4S/c1-14-11-16(23-27-14)13-28-20-6-3-2-5-17(20)21(24)22-15-7-8-18-19(12-15)26-10-4-9-25-18/h2-3,5-8,11-12H,4,9-10,13H2,1H3,(H,22,24)