2-[4-[(4-butylphenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-(3-methoxypropyl)ethanamide

Systemtic Name: 2-[4-[(4-butylphenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-(3-methoxypropyl)ethanamide Openeye Name: 2-[4-[(4-butylphenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-(3-methoxypropyl)acetamide CAS Name: 2-[4-[(4-butylanilino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]-N-(3-methoxypropyl)acetamide IUPAC Name: 2-[4-[(4-butylphenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-(3-methoxypropyl)acetamide Traditional Name: 2-[4-[(4-butylphenyl)thiocarbamoyl]piperazin-1-ium-1-yl]-N-(3-methoxypropyl)acetamide Formula: C21H35N4O2S+ MolecularWeight: 407.5932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34N4O2S/c1-3-4-6-18-7-9-19(10-8-18)23-21(28)25-14-12-24(13-15-25)17-20(26)22-11-5-16-27-2/h7-10H,3-6,11-17H2,1-2H3,(H,22,26)(H,23,28)/p+1