N-(2-azanyl-2-sulfanylidene-ethyl)-N'-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanediamide

Systemtic Name: N-(2-azanyl-2-sulfanylidene-ethyl)-N'-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanediamide Openeye Name: N-(2-amino-2-thioxo-ethyl)-N'-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)oxamide CAS Name: N-(2-amino-2-sulfanylideneethyl)-N'-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)oxamide IUPAC Name: N-(2-amino-2-sulfanylideneethyl)-N'-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)oxamide Traditional Name: N-(2-amino-2-thioxo-ethyl)-N'-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)oxamide Formula: C13H15N3O4S MolecularWeight: 309.3409

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)C(=O)NCC(=S)N)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)C(=O)NCC(=S)N)OC1

InChI

InChI=1S/C13H15N3O4S/c14-11(21)7-15-12(17)13(18)16-8-2-3-9-10(6-8)20-5-1-4-19-9/h2-3,6H,1,4-5,7H2,(H2,14,21)(H,15,17)(H,16,18)