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

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide CAS Name: N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-oxomethyl]-2-[[5-(ethylthio)-1,3,4-thiadiazol-2-yl]thio]acetamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)-2-[[5-(ethylthio)-1,3,4-thiadiazol-2-yl]thio]acetamide Formula: C16H18N4O4S3 MolecularWeight: 426.53352

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(S1)SCC(=O)NC(=O)NC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CCSC1=NN=C(S1)SCC(=O)NC(=O)NC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C16H18N4O4S3/c1-2-25-15-19-20-16(27-15)26-9-13(21)18-14(22)17-10-4-5-11-12(8-10)24-7-3-6-23-11/h4-5,8H,2-3,6-7,9H2,1H3,(H2,17,18,21,22)