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

Systemtic Name: N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-4-propoxy-benzamide Openeye Name: N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-4-propoxy-benzamide CAS Name: N-[[4-(4-methyl-1-piperazin-4-iumyl)anilino]-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-4-propoxybenzamide Traditional Name: N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]thiocarbamoyl]-4-propoxy-benzamide Formula: C22H29N4O2S+ MolecularWeight: 413.55626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O2S/c1-3-16-28-20-10-4-17(5-11-20)21(27)24-22(29)23-18-6-8-19(9-7-18)26-14-12-25(2)13-15-26/h4-11H,3,12-16H2,1-2H3,(H2,23,24,27,29)/p+1