N-(2,3-dimethylphenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(2,3-dimethylphenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-carbothioamide Openeye Name: N-(2,3-dimethylphenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-carbothioamide CAS Name: N-(2,3-dimethylphenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(2,3-dimethylphenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-carbothioamide Traditional Name: N-(2,3-dimethylphenyl)-4-(2,3,4-trimethoxybenzyl)piperazin-4-ium-1-carbothioamide Formula: C23H32N3O3S+ MolecularWeight: 430.58348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=S)N2CC[NH+](CC2)CC3=C(C(=C(C=C3)OC)OC)OC)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=S)N2CC[NH+](CC2)CC3=C(C(=C(C=C3)OC)OC)OC)C

InChI

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