N-(2,3-dimethylphenyl)-2-[4-(propan-2-ylcarbamothioyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,3-dimethylphenyl)-2-[4-(propan-2-ylcarbamothioyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[4-(isopropylcarbamothioyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[4-[(propan-2-ylamino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[4-(propan-2-ylcarbamothioyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,3-dimethylphenyl)-2-[4-(isopropylthiocarbamoyl)piperazin-1-ium-1-yl]acetamide Formula: C18H29N4OS+ MolecularWeight: 349.51406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C(=S)NC(C)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C(=S)NC(C)C)C

InChI

InChI=1S/C18H28N4OS/c1-13(2)19-18(24)22-10-8-21(9-11-22)12-17(23)20-16-7-5-6-14(3)15(16)4/h5-7,13H,8-12H2,1-4H3,(H,19,24)(H,20,23)/p+1