4-(azepan-1-ylsulfonylamino)benzenecarbothioamide

Systemtic Name: 4-(azepan-1-ylsulfonylamino)benzenecarbothioamide Openeye Name: 4-(azepan-1-ylsulfonylamino)benzenecarbothioamide CAS Name: 4-(1-azepanylsulfonylamino)benzenecarbothioamide IUPAC Name: 4-(azepan-1-ylsulfonylamino)benzenecarbothioamide Traditional Name: 4-(azepan-1-ylsulfonylamino)thiobenzamide Formula: C13H19N3O2S2 MolecularWeight: 313.43886

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)NC2=CC=C(C=C2)C(=S)N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)NC2=CC=C(C=C2)C(=S)N

InChI

InChI=1S/C13H19N3O2S2/c14-13(19)11-5-7-12(8-6-11)15-20(17,18)16-9-3-1-2-4-10-16/h5-8,15H,1-4,9-10H2,(H2,14,19)