N-(2,4-dimethylphenyl)-2-[2-methoxy-4-(4-methylpiperazin-4-ium-1-yl)carbothioyl-phenoxy]ethanamide

Systemtic Name: N-(2,4-dimethylphenyl)-2-[2-methoxy-4-(4-methylpiperazin-4-ium-1-yl)carbothioyl-phenoxy]ethanamide Openeye Name: N-(2,4-dimethylphenyl)-2-[2-methoxy-4-(4-methylpiperazin-4-ium-1-carbothioyl)phenoxy]acetamide CAS Name: N-(2,4-dimethylphenyl)-2-[2-methoxy-4-[(4-methyl-1-piperazin-4-iumyl)-sulfanylidenemethyl]phenoxy]acetamide IUPAC Name: N-(2,4-dimethylphenyl)-2-[2-methoxy-4-(4-methylpiperazin-4-ium-1-carbothioyl)phenoxy]acetamide Traditional Name: N-(2,4-dimethylphenyl)-2-[2-methoxy-4-(4-methylpiperazin-4-ium-1-carbothioyl)phenoxy]acetamide Formula: C23H30N3O3S+ MolecularWeight: 428.5676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)COC2=C(C=C(C=C2)C(=S)N3CC[NH+](CC3)C)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)COC2=C(C=C(C=C2)C(=S)N3CC[NH+](CC3)C)OC)C

InChI

InChI=1S/C23H29N3O3S/c1-16-5-7-19(17(2)13-16)24-22(27)15-29-20-8-6-18(14-21(20)28-4)23(30)26-11-9-25(3)10-12-26/h5-8,13-14H,9-12,15H2,1-4H3,(H,24,27)/p+1