N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-4-propan-2-yloxy-benzamide

Systemtic Name: N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-4-propan-2-yloxy-benzamide Openeye Name: 4-isopropoxy-N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]benzamide CAS Name: N-[[4-(4-methyl-1-piperazin-4-iumyl)anilino]-sulfanylidenemethyl]-4-propan-2-yloxybenzamide IUPAC Name: N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-4-propan-2-yloxybenzamide Traditional Name: 4-isopropoxy-N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]thiocarbamoyl]benzamide Formula: C22H29N4O2S+ MolecularWeight: 413.55626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CC[NH+](CC3)C

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CC[NH+](CC3)C

InChI

InChI=1S/C22H28N4O2S/c1-16(2)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(3)13-15-26/h4-11,16H,12-15H2,1-3H3,(H2,23,24,27,29)/p+1