4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-N-(4-ethoxyphenyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-N-(4-ethoxyphenyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-N-(4-ethoxyphenyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-(4-ethoxyphenyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-(4-ethoxyphenyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-(4,5-dimethoxy-2-methyl-benzyl)-N-p-phenetyl-piperazin-4-ium-1-carbothioamide Formula: C23H32N3O3S+ MolecularWeight: 430.58348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)N2CC[NH+](CC2)CC3=CC(=C(C=C3C)OC)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)N2CC[NH+](CC2)CC3=CC(=C(C=C3C)OC)OC

InChI

InChI=1S/C23H31N3O3S/c1-5-29-20-8-6-19(7-9-20)24-23(30)26-12-10-25(11-13-26)16-18-15-22(28-4)21(27-3)14-17(18)2/h6-9,14-15H,5,10-13,16H2,1-4H3,(H,24,30)/p+1