2-[4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazol-2-yl]-5-methylsulfanyl-thiophen-2-yl]-2-oxidanylidene-ethanimidamide

Systemtic Name: 2-[4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazol-2-yl]-5-methylsulfanyl-thiophen-2-yl]-2-oxidanylidene-ethanimidamide Openeye Name: 2-[4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiazol-2-yl]-5-methylsulfanyl-2-thienyl]-2-oxo-acetamidine CAS Name: 2-[4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-thiazolyl]-5-(methylthio)-2-thiophenyl]-2-oxoethanimidamide IUPAC Name: 2-[4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazol-2-yl]-5-methylsulfanylthiophen-2-yl]-2-oxoethanimidamide Traditional Name: 2-[4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiazol-2-yl]-5-(methylthio)-2-thienyl]-2-keto-acetamidine Formula: C19H17N3O3S3 MolecularWeight: 431.55158

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(S1)C(=O)C(=N)N)C2=NC(=CS2)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CSC1=C(C=C(S1)C(=O)C(=N)N)C2=NC(=CS2)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C19H17N3O3S3/c1-26-19-11(8-15(28-19)16(23)17(20)21)18-22-12(9-27-18)10-3-4-13-14(7-10)25-6-2-5-24-13/h3-4,7-9H,2,5-6H2,1H3,(H3,20,21)