2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzamide

Systemtic Name: 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzamide Openeye Name: 2-(2-amino-2-oxo-ethyl)sulfanyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzamide CAS Name: 2-[(2-amino-2-oxoethyl)thio]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzamide IUPAC Name: 2-(2-amino-2-oxoethyl)sulfanyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzamide Traditional Name: 2-[(2-amino-2-keto-ethyl)thio]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzamide Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3SCC(=O)N)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3SCC(=O)N)OC1

InChI

InChI=1S/C18H18N2O4S/c19-17(21)11-25-16-5-2-1-4-13(16)18(22)20-12-6-7-14-15(10-12)24-9-3-8-23-14/h1-2,4-7,10H,3,8-9,11H2,(H2,19,21)(H,20,22)