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

Systemtic Name: 2-[4-[(4-ethoxyphenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-propan-2-yl-ethanamide Openeye Name: 2-[4-[(4-ethoxyphenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-isopropyl-acetamide CAS Name: 2-[4-[(4-ethoxyanilino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]-N-propan-2-ylacetamide IUPAC Name: 2-[4-[(4-ethoxyphenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-propan-2-ylacetamide Traditional Name: N-isopropyl-2-[4-(p-phenetylthiocarbamoyl)piperazin-1-ium-1-yl]acetamide Formula: C18H29N4O2S+ MolecularWeight: 365.51346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N4O2S/c1-4-24-16-7-5-15(6-8-16)20-18(25)22-11-9-21(10-12-22)13-17(23)19-14(2)3/h5-8,14H,4,9-13H2,1-3H3,(H,19,23)(H,20,25)/p+1