2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-[(phenylmethyl)carbamoyl]ethanamide

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-[(phenylmethyl)carbamoyl]ethanamide Openeye Name: N-(benzylcarbamoyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-[oxo-[(phenylmethyl)amino]methyl]acetamide IUPAC Name: N-(benzylcarbamoyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetamide Traditional Name: N-(benzylcarbamoyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetamide Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SCC(=O)NC(=O)NCC3=CC=CC=C3)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)SCC(=O)NC(=O)NCC3=CC=CC=C3)OC1

InChI

InChI=1S/C19H20N2O4S/c22-18(21-19(23)20-12-14-5-2-1-3-6-14)13-26-15-7-8-16-17(11-15)25-10-4-9-24-16/h1-3,5-8,11H,4,9-10,12-13H2,(H2,20,21,22,23)