4-[(2,5-dimethoxyphenyl)methyl]-N-(4-ethoxyphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-[(2,5-dimethoxyphenyl)methyl]-N-(4-ethoxyphenyl)piperazine-1-carbothioamide Openeye Name: 4-[(2,5-dimethoxyphenyl)methyl]-N-(4-ethoxyphenyl)piperazine-1-carbothioamide CAS Name: 4-[(2,5-dimethoxyphenyl)methyl]-N-(4-ethoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-[(2,5-dimethoxyphenyl)methyl]-N-(4-ethoxyphenyl)piperazine-1-carbothioamide Traditional Name: 4-(2,5-dimethoxybenzyl)-N-p-phenetyl-piperazine-1-carbothioamide Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)N2CCN(CC2)CC3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)N2CCN(CC2)CC3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C22H29N3O3S/c1-4-28-19-7-5-18(6-8-19)23-22(29)25-13-11-24(12-14-25)16-17-15-20(26-2)9-10-21(17)27-3/h5-10,15H,4,11-14,16H2,1-3H3,(H,23,29)