N-aminocarbonyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-3-methyl-butanamide

Systemtic Name: N-aminocarbonyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-3-methyl-butanamide Openeye Name: N-carbamoyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-3-methyl-butanamide CAS Name: N-carbamoyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-3-methylbutanamide IUPAC Name: N-carbamoyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-3-methylbutanamide Traditional Name: N-carbamoyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-3-methyl-butyramide Formula: C15H20N2O4S MolecularWeight: 324.3953

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)SC1=CC2=C(C=C1)OCCCO2

Isomeric SMILES

CC(C)C(C(=O)NC(=O)N)SC1=CC2=C(C=C1)OCCCO2

InChI

InChI=1S/C15H20N2O4S/c1-9(2)13(14(18)17-15(16)19)22-10-4-5-11-12(8-10)21-7-3-6-20-11/h4-5,8-9,13H,3,6-7H2,1-2H3,(H3,16,17,18,19)