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

Systemtic Name: N-(cyclohexylcarbamoyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)propanamide Openeye Name: N-(cyclohexylcarbamoyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)propanamide CAS Name: N-[(cyclohexylamino)-oxomethyl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)propanamide IUPAC Name: N-(cyclohexylcarbamoyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)propanamide Traditional Name: N-(cyclohexylcarbamoyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)propionamide Formula: C19H26N2O4S MolecularWeight: 378.48574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1CCCCC1)SC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC(C(=O)NC(=O)NC1CCCCC1)SC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C19H26N2O4S/c1-13(18(22)21-19(23)20-14-6-3-2-4-7-14)26-15-8-9-16-17(12-15)25-11-5-10-24-16/h8-9,12-14H,2-7,10-11H2,1H3,(H2,20,21,22,23)