N-[[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]carbamothioyl]propanamide

Systemtic Name: N-[[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]carbamothioyl]propanamide Openeye Name: N-[[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]propanamide CAS Name: N-[[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]anilino]-sulfanylidenemethyl]propanamide IUPAC Name: N-[[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]propanamide Traditional Name: N-[[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]thiocarbamoyl]propionamide Formula: C21H27N4OS+ MolecularWeight: 383.53028

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(=S)NC1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CCC(=O)NC(=S)NC1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H26N4OS/c1-2-20(26)23-21(27)22-18-8-10-19(11-9-18)25-14-12-24(13-15-25)16-17-6-4-3-5-7-17/h3-11H,2,12-16H2,1H3,(H2,22,23,26,27)/p+1