(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(methylcarbamoyl)-2-phenyl-ethanamide

Systemtic Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(methylcarbamoyl)-2-phenyl-ethanamide Openeye Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(methylcarbamoyl)-2-phenyl-acetamide CAS Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(methylcarbamoyl)-2-phenylacetamide IUPAC Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(methylcarbamoyl)-2-phenylacetamide Traditional Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(methylcarbamoyl)-2-phenyl-acetamide Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CNC(=O)NC(=O)[C@H](C1=CC=CC=C1)SC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C19H20N2O4S/c1-20-19(23)21-18(22)17(13-6-3-2-4-7-13)26-14-8-9-15-16(12-14)25-11-5-10-24-15/h2-4,6-9,12,17H,5,10-11H2,1H3,(H2,20,21,22,23)/t17-/m0/s1