N-(4-methylpiperazin-4-ium-1-yl)carbothioyl-3-(2-phenoxyethoxy)benzamide

Systemtic Name: N-(4-methylpiperazin-4-ium-1-yl)carbothioyl-3-(2-phenoxyethoxy)benzamide Openeye Name: N-(4-methylpiperazin-4-ium-1-carbothioyl)-3-(2-phenoxyethoxy)benzamide CAS Name: N-[(4-methyl-1-piperazin-4-iumyl)-sulfanylidenemethyl]-3-(2-phenoxyethoxy)benzamide IUPAC Name: N-(4-methylpiperazin-4-ium-1-carbothioyl)-3-(2-phenoxyethoxy)benzamide Traditional Name: N-(4-methylpiperazin-4-ium-1-carbothioyl)-3-(2-phenoxyethoxy)benzamide Formula: C21H26N3O3S+ MolecularWeight: 400.51444

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=S)NC(=O)C2=CC(=CC=C2)OCCOC3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCN(CC1)C(=S)NC(=O)C2=CC(=CC=C2)OCCOC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O3S/c1-23-10-12-24(13-11-23)21(28)22-20(25)17-6-5-9-19(16-17)27-15-14-26-18-7-3-2-4-8-18/h2-9,16H,10-15H2,1H3,(H,22,25,28)/p+1