N-(2,4-dimethoxyphenyl)-4-(diphenylmethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(2,4-dimethoxyphenyl)-4-(diphenylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-benzhydryl-N-(2,4-dimethoxyphenyl)piperazin-4-ium-1-carbothioamide CAS Name: N-(2,4-dimethoxyphenyl)-4-(diphenylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-benzhydryl-N-(2,4-dimethoxyphenyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-benzhydryl-N-(2,4-dimethoxyphenyl)piperazin-4-ium-1-carbothioamide Formula: C26H30N3O2S+ MolecularWeight: 448.6003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=S)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=S)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)OC

InChI

InChI=1S/C26H29N3O2S/c1-30-22-13-14-23(24(19-22)31-2)27-26(32)29-17-15-28(16-18-29)25(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-14,19,25H,15-18H2,1-2H3,(H,27,32)/p+1