N-(4-sulfamoylphenyl)-4-(1,3-thiazol-2-ylmethyl)-1,4-diazepane-1-carbothioamide

Systemtic Name: N-(4-sulfamoylphenyl)-4-(1,3-thiazol-2-ylmethyl)-1,4-diazepane-1-carbothioamide Openeye Name: N-(4-sulfamoylphenyl)-4-(thiazol-2-ylmethyl)-1,4-diazepane-1-carbothioamide CAS Name: N-(4-sulfamoylphenyl)-4-(2-thiazolylmethyl)-1,4-diazepane-1-carbothioamide IUPAC Name: N-(4-sulfamoylphenyl)-4-(1,3-thiazol-2-ylmethyl)-1,4-diazepane-1-carbothioamide Traditional Name: N-(4-sulfamoylphenyl)-4-(thiazol-2-ylmethyl)-1,4-diazepane-1-carbothioamide Formula: C16H21N5O2S3 MolecularWeight: 411.56524

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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=NC=CS3

Isomeric SMILES

C1CN(CCN(C1)C(=S)NC2=CC=C(C=C2)S(=O)(=O)N)CC3=NC=CS3

InChI

InChI=1S/C16H21N5O2S3/c17-26(22,23)14-4-2-13(3-5-14)19-16(24)21-8-1-7-20(9-10-21)12-15-18-6-11-25-15/h2-6,11H,1,7-10,12H2,(H,19,24)(H2,17,22,23)