N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)-2-[(5-oxidanylidene-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)-2-[(5-oxidanylidene-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-oxomethyl]-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)-2-[(5-keto-4-propyl-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C17H21N5O5S MolecularWeight: 407.44414

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC(=O)NC(=O)NC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CCCN1C(=O)NN=C1SCC(=O)NC(=O)NC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C17H21N5O5S/c1-2-6-22-16(25)20-21-17(22)28-10-14(23)19-15(24)18-11-4-5-12-13(9-11)27-8-3-7-26-12/h4-5,9H,2-3,6-8,10H2,1H3,(H,20,25)(H2,18,19,23,24)