N-(4-ethoxyphenyl)-4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(4-ethoxyphenyl)-4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-carbothioamide Openeye Name: N-(4-ethoxyphenyl)-4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-carbothioamide CAS Name: N-(4-ethoxyphenyl)-4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(4-ethoxyphenyl)-4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-carbothioamide Traditional Name: 4-p-anisyl-N-p-phenetyl-piperazin-4-ium-1-carbothioamide Formula: C21H28N3O2S+ MolecularWeight: 386.53092

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)N2CC[NH+](CC2)CC3=CC=C(C=C3)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)N2CC[NH+](CC2)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H27N3O2S/c1-3-26-20-10-6-18(7-11-20)22-21(27)24-14-12-23(13-15-24)16-17-4-8-19(25-2)9-5-17/h4-11H,3,12-16H2,1-2H3,(H,22,27)/p+1