N-(1-cyanocyclohexyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)propanamide

Systemtic Name: N-(1-cyanocyclohexyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)propanamide Openeye Name: N-(1-cyanocyclohexyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)propanamide CAS Name: N-(1-cyanocyclohexyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)propanamide IUPAC Name: N-(1-cyanocyclohexyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)propanamide Traditional Name: N-(1-cyanocyclohexyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)propionamide Formula: C19H24N2O3S MolecularWeight: 360.47046

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCCCC1)C#N)SC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC(C(=O)NC1(CCCCC1)C#N)SC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C19H24N2O3S/c1-14(18(22)21-19(13-20)8-3-2-4-9-19)25-15-6-7-16-17(12-15)24-11-5-10-23-16/h6-7,12,14H,2-5,8-11H2,1H3,(H,21,22)