N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-3-propoxy-benzamide

Systemtic Name: N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-3-propoxy-benzamide Openeye Name: N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-3-propoxy-benzamide CAS Name: N-[[4-(4-ethyl-1-piperazin-4-iumyl)anilino]-sulfanylidenemethyl]-3-propoxybenzamide IUPAC Name: N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-3-propoxybenzamide Traditional Name: N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]thiocarbamoyl]-3-propoxy-benzamide Formula: C23H31N4O2S+ MolecularWeight: 427.58284

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC

Isomeric SMILES

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC

InChI

InChI=1S/C23H30N4O2S/c1-3-16-29-21-7-5-6-18(17-21)22(28)25-23(30)24-19-8-10-20(11-9-19)27-14-12-26(4-2)13-15-27/h5-11,17H,3-4,12-16H2,1-2H3,(H2,24,25,28,30)/p+1