4-(furan-2-ylmethyl)-N-(4-sulfamoylphenyl)-1,4-diazepane-1-carbothioamide

Systemtic Name: 4-(furan-2-ylmethyl)-N-(4-sulfamoylphenyl)-1,4-diazepane-1-carbothioamide Openeye Name: 4-(2-furylmethyl)-N-(4-sulfamoylphenyl)-1,4-diazepane-1-carbothioamide CAS Name: 4-(2-furanylmethyl)-N-(4-sulfamoylphenyl)-1,4-diazepane-1-carbothioamide IUPAC Name: 4-(furan-2-ylmethyl)-N-(4-sulfamoylphenyl)-1,4-diazepane-1-carbothioamide Traditional Name: 4-(2-furfuryl)-N-(4-sulfamoylphenyl)-1,4-diazepane-1-carbothioamide Formula: C17H22N4O3S2 MolecularWeight: 394.51158

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=S)NC2=CC=C(C=C2)S(=O)(=O)N)CC3=CC=CO3

Isomeric SMILES

C1CN(CCN(C1)C(=S)NC2=CC=C(C=C2)S(=O)(=O)N)CC3=CC=CO3

InChI

InChI=1S/C17H22N4O3S2/c18-26(22,23)16-6-4-14(5-7-16)19-17(25)21-9-2-8-20(10-11-21)13-15-3-1-12-24-15/h1,3-7,12H,2,8-11,13H2,(H,19,25)(H2,18,22,23)