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

Systemtic Name: 4-butoxy-N-[[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]carbamothioyl]benzamide Openeye Name: N-[[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-4-butoxy-benzamide CAS Name: 4-butoxy-N-[[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-4-butoxybenzamide Traditional Name: N-[[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]thiocarbamoyl]-4-butoxy-benzamide Formula: C29H35N4O2S+ MolecularWeight: 503.6788

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C29H34N4O2S/c1-2-3-21-35-27-15-9-24(10-16-27)28(34)31-29(36)30-25-11-13-26(14-12-25)33-19-17-32(18-20-33)22-23-7-5-4-6-8-23/h4-16H,2-3,17-22H2,1H3,(H2,30,31,34,36)/p+1