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

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(phenylcarbamoyl)propanamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(phenylcarbamoyl)propanamide CAS Name: N-[anilino(oxo)methyl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)propanamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(phenylcarbamoyl)propanamide Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(phenylcarbamoyl)propionamide Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1=CC=CC=C1)SC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC(C(=O)NC(=O)NC1=CC=CC=C1)SC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C19H20N2O4S/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/h2-4,6-9,12-13H,5,10-11H2,1H3,(H2,20,21,22,23)