4-ethoxy-N-[[2-(4-methylpiperazin-4-ium-1-yl)carbonylphenyl]carbamothioyl]benzamide

Systemtic Name: 4-ethoxy-N-[[2-(4-methylpiperazin-4-ium-1-yl)carbonylphenyl]carbamothioyl]benzamide Openeye Name: 4-ethoxy-N-[[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]carbamothioyl]benzamide CAS Name: 4-ethoxy-N-[[2-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-ethoxy-N-[[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]carbamothioyl]benzamide Traditional Name: 4-ethoxy-N-[[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]thiocarbamoyl]benzamide Formula: C22H27N4O3S+ MolecularWeight: 427.53978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C22H26N4O3S/c1-3-29-17-10-8-16(9-11-17)20(27)24-22(30)23-19-7-5-4-6-18(19)21(28)26-14-12-25(2)13-15-26/h4-11H,3,12-15H2,1-2H3,(H2,23,24,27,30)/p+1