N-(2-ethylphenyl)-2-[4-(propan-2-ylcarbamothioyl)piperazin-1-ium-1-yl]ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=S)NC(C)C

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=S)NC(C)C

InChI

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