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

Systemtic Name: 4-(pyridin-2-ylmethyl)-N-(4-sulfamoylphenyl)-1,4-diazepane-1-carbothioamide Openeye Name: 4-(2-pyridylmethyl)-N-(4-sulfamoylphenyl)-1,4-diazepane-1-carbothioamide CAS Name: 4-(2-pyridinylmethyl)-N-(4-sulfamoylphenyl)-1,4-diazepane-1-carbothioamide IUPAC Name: 4-(pyridin-2-ylmethyl)-N-(4-sulfamoylphenyl)-1,4-diazepane-1-carbothioamide Traditional Name: 4-(2-pyridylmethyl)-N-(4-sulfamoylphenyl)-1,4-diazepane-1-carbothioamide Formula: C18H23N5O2S2 MolecularWeight: 405.53752

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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=CC=N3

Isomeric SMILES

C1CN(CCN(C1)C(=S)NC2=CC=C(C=C2)S(=O)(=O)N)CC3=CC=CC=N3

InChI

InChI=1S/C18H23N5O2S2/c19-27(24,25)17-7-5-15(6-8-17)21-18(26)23-11-3-10-22(12-13-23)14-16-4-1-2-9-20-16/h1-2,4-9H,3,10-14H2,(H,21,26)(H2,19,24,25)