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

Systemtic Name: 2-[4-[(4-butylphenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-(2-methoxyethyl)ethanamide Openeye Name: 2-[4-[(4-butylphenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-(2-methoxyethyl)acetamide CAS Name: 2-[4-[(4-butylanilino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]-N-(2-methoxyethyl)acetamide IUPAC Name: 2-[4-[(4-butylphenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-(2-methoxyethyl)acetamide Traditional Name: 2-[4-[(4-butylphenyl)thiocarbamoyl]piperazin-1-ium-1-yl]-N-(2-methoxyethyl)acetamide Formula: C20H33N4O2S+ MolecularWeight: 393.56662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)N2CC[NH+](CC2)CC(=O)NCCOC

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)N2CC[NH+](CC2)CC(=O)NCCOC

InChI

InChI=1S/C20H32N4O2S/c1-3-4-5-17-6-8-18(9-7-17)22-20(27)24-13-11-23(12-14-24)16-19(25)21-10-15-26-2/h6-9H,3-5,10-16H2,1-2H3,(H,21,25)(H,22,27)/p+1