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

Systemtic Name: 4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-prop-2-enyl-piperazine-1-carbothioamide Openeye Name: N-allyl-4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazine-1-carbothioamide CAS Name: 4-(2,3-dihydrobenzofuran-5-ylmethyl)-N-prop-2-enyl-1-piperazinecarbothioamide IUPAC Name: 4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-prop-2-enylpiperazine-1-carbothioamide Traditional Name: N-allyl-4-(coumaran-5-ylmethyl)piperazine-1-carbothioamide Formula: C17H23N3OS MolecularWeight: 317.44902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3OS/c1-2-6-18-17(22)20-9-7-19(8-10-20)13-14-3-4-16-15(12-14)5-11-21-16/h2-4,12H,1,5-11,13H2,(H,18,22)