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

Systemtic Name: 3-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]-3-butoxy-benzamide CAS Name: 3-butoxy-N-[[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-3-butoxybenzamide Traditional Name: N-[[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]thiocarbamoyl]-3-butoxy-benzamide Formula: C29H35N4O2S+ MolecularWeight: 503.6788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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