3-(4-ethylpiperazin-4-ium-1-yl)carbonylbenzenecarbothioamide

Systemtic Name: 3-(4-ethylpiperazin-4-ium-1-yl)carbonylbenzenecarbothioamide Openeye Name: 3-(4-ethylpiperazin-4-ium-1-carbonyl)benzenecarbothioamide CAS Name: 3-[(4-ethyl-1-piperazin-4-iumyl)-oxomethyl]benzenecarbothioamide IUPAC Name: 3-(4-ethylpiperazin-4-ium-1-carbonyl)benzenecarbothioamide Traditional Name: 3-(4-ethylpiperazin-4-ium-1-carbonyl)thiobenzamide Formula: C14H20N3OS+ MolecularWeight: 278.3931

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3OS/c1-2-16-6-8-17(9-7-16)14(18)12-5-3-4-11(10-12)13(15)19/h3-5,10H,2,6-9H2,1H3,(H2,15,19)/p+1