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

Systemtic Name: 4-(pyridin-4-ylmethyl)-N-(4-sulfamoylphenyl)-1,4-diazepane-1-carbothioamide Openeye Name: 4-(4-pyridylmethyl)-N-(4-sulfamoylphenyl)-1,4-diazepane-1-carbothioamide CAS Name: 4-(pyridin-4-ylmethyl)-N-(4-sulfamoylphenyl)-1,4-diazepane-1-carbothioamide IUPAC Name: 4-(pyridin-4-ylmethyl)-N-(4-sulfamoylphenyl)-1,4-diazepane-1-carbothioamide Traditional Name: 4-(4-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=NC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=S)NC2=CC=C(C=C2)S(=O)(=O)N)CC3=CC=NC=C3

InChI

InChI=1S/C18H23N5O2S2/c19-27(24,25)17-4-2-16(3-5-17)21-18(26)23-11-1-10-22(12-13-23)14-15-6-8-20-9-7-15/h2-9H,1,10-14H2,(H,21,26)(H2,19,24,25)