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

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(prop-2-enylcarbamoyl)ethanamide Openeye Name: N-(allylcarbamoyl)-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-(prop-2-enylamino)methyl]acetamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(prop-2-enylcarbamoyl)acetamide Traditional Name: N-(allylcarbamoyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetamide Formula: C15H18N2O4S MolecularWeight: 322.37942

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)NC(=O)CSC1=CC2=C(C=C1)OCCCO2

Isomeric SMILES

C=CCNC(=O)NC(=O)CSC1=CC2=C(C=C1)OCCCO2

InChI

InChI=1S/C15H18N2O4S/c1-2-6-16-15(19)17-14(18)10-22-11-4-5-12-13(9-11)21-8-3-7-20-12/h2,4-5,9H,1,3,6-8,10H2,(H2,16,17,18,19)