4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(4-ethoxyphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(4-ethoxyphenyl)piperazine-1-carbothioamide Openeye Name: 4-(2,3-dihydrobenzofuran-5-ylmethyl)-N-(4-ethoxyphenyl)piperazine-1-carbothioamide CAS Name: 4-(2,3-dihydrobenzofuran-5-ylmethyl)-N-(4-ethoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(4-ethoxyphenyl)piperazine-1-carbothioamide Traditional Name: 4-(coumaran-5-ylmethyl)-N-p-phenetyl-piperazine-1-carbothioamide Formula: C22H27N3O2S MolecularWeight: 397.53368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)N2CCN(CC2)CC3=CC4=C(C=C3)OCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)N2CCN(CC2)CC3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C22H27N3O2S/c1-2-26-20-6-4-19(5-7-20)23-22(28)25-12-10-24(11-13-25)16-17-3-8-21-18(15-17)9-14-27-21/h3-8,15H,2,9-14,16H2,1H3,(H,23,28)