2-[(4-methyl-1,4-diazepan-4-ium-1-yl)sulfonyl]benzenecarbothioamide

Systemtic Name: 2-[(4-methyl-1,4-diazepan-4-ium-1-yl)sulfonyl]benzenecarbothioamide Openeye Name: 2-[(4-methyl-1,4-diazepan-4-ium-1-yl)sulfonyl]benzenecarbothioamide CAS Name: 2-[(4-methyl-1,4-diazepan-4-ium-1-yl)sulfonyl]benzenecarbothioamide IUPAC Name: 2-[(4-methyl-1,4-diazepan-4-ium-1-yl)sulfonyl]benzenecarbothioamide Traditional Name: 2-[(4-methyl-1,4-diazepan-4-ium-1-yl)sulfonyl]thiobenzamide Formula: C13H20N3O2S2+ MolecularWeight: 314.4468

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)S(=O)(=O)C2=CC=CC=C2C(=S)N

Isomeric SMILES

C[NH+]1CCCN(CC1)S(=O)(=O)C2=CC=CC=C2C(=S)N

InChI

InChI=1S/C13H19N3O2S2/c1-15-7-4-8-16(10-9-15)20(17,18)12-6-3-2-5-11(12)13(14)19/h2-3,5-6H,4,7-10H2,1H3,(H2,14,19)/p+1