4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazol-2-yl]-5-methylsulfanyl-thiophene-2-carboximidamide

Systemtic Name: 4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazol-2-yl]-5-methylsulfanyl-thiophene-2-carboximidamide Openeye Name: 4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiazol-2-yl]-5-methylsulfanyl-thiophene-2-carboxamidine CAS Name: 4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-thiazolyl]-5-(methylthio)-2-thiophenecarboximidamide IUPAC Name: 4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazol-2-yl]-5-methylsulfanylthiophene-2-carboximidamide Traditional Name: 4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiazol-2-yl]-5-(methylthio)thiophene-2-carboxamidine Formula: C18H17N3O2S3 MolecularWeight: 403.54148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O2S3/c1-24-18-11(8-15(26-18)16(19)20)17-21-12(9-25-17)10-3-4-13-14(7-10)23-6-2-5-22-13/h3-4,7-9H,2,5-6H2,1H3,(H3,19,20)