2-[4-[(4-ethoxyphenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-(2-methoxyethyl)ethanamide

Systemtic Name: 2-[4-[(4-ethoxyphenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-(2-methoxyethyl)ethanamide Openeye Name: 2-[4-[(4-ethoxyphenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-(2-methoxyethyl)acetamide CAS Name: 2-[4-[(4-ethoxyanilino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]-N-(2-methoxyethyl)acetamide IUPAC Name: 2-[4-[(4-ethoxyphenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-(2-methoxyethyl)acetamide Traditional Name: N-(2-methoxyethyl)-2-[4-(p-phenetylthiocarbamoyl)piperazin-1-ium-1-yl]acetamide Formula: C18H29N4O3S+ MolecularWeight: 381.51286

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)N2CC[NH+](CC2)CC(=O)NCCOC

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)N2CC[NH+](CC2)CC(=O)NCCOC

InChI

InChI=1S/C18H28N4O3S/c1-3-25-16-6-4-15(5-7-16)20-18(26)22-11-9-21(10-12-22)14-17(23)19-8-13-24-2/h4-7H,3,8-14H2,1-2H3,(H,19,23)(H,20,26)/p+1