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

Systemtic Name: 4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-ethyl-piperazine-1-carbothioamide Openeye Name: 4-(2,3-dihydrobenzofuran-5-ylmethyl)-N-ethyl-piperazine-1-carbothioamide CAS Name: 4-(2,3-dihydrobenzofuran-5-ylmethyl)-N-ethyl-1-piperazinecarbothioamide IUPAC Name: 4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-ethylpiperazine-1-carbothioamide Traditional Name: 4-(coumaran-5-ylmethyl)-N-ethyl-piperazine-1-carbothioamide Formula: C16H23N3OS MolecularWeight: 305.43832

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)N1CCN(CC1)CC2=CC3=C(C=C2)OCC3

Isomeric SMILES

CCNC(=S)N1CCN(CC1)CC2=CC3=C(C=C2)OCC3

InChI

InChI=1S/C16H23N3OS/c1-2-17-16(21)19-8-6-18(7-9-19)12-13-3-4-15-14(11-13)5-10-20-15/h3-4,11H,2,5-10,12H2,1H3,(H,17,21)