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

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)-2-[[4-methyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-oxomethyl]-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)-2-[[4-methyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C19H19N5O4S2 MolecularWeight: 445.51526

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC(=O)NC2=CC3=C(C=C2)OCCCO3)C4=CC=CS4

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC(=O)NC2=CC3=C(C=C2)OCCCO3)C4=CC=CS4

InChI

InChI=1S/C19H19N5O4S2/c1-24-17(15-4-2-9-29-15)22-23-19(24)30-11-16(25)21-18(26)20-12-5-6-13-14(10-12)28-8-3-7-27-13/h2,4-6,9-10H,3,7-8,11H2,1H3,(H2,20,21,25,26)