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

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(phenylcarbamoyl)ethanamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(phenylcarbamoyl)acetamide CAS Name: N-[anilino(oxo)methyl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(phenylcarbamoyl)acetamide Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(phenylcarbamoyl)acetamide Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SCC(=O)NC(=O)NC3=CC=CC=C3)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)SCC(=O)NC(=O)NC3=CC=CC=C3)OC1

InChI

InChI=1S/C18H18N2O4S/c21-17(20-18(22)19-13-5-2-1-3-6-13)12-25-14-7-8-15-16(11-14)24-10-4-9-23-15/h1-3,5-8,11H,4,9-10,12H2,(H2,19,20,21,22)