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

Systemtic Name: 4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(2-methylphenyl)piperazine-1-carbothioamide Openeye Name: 4-(2,3-dihydrobenzofuran-5-ylmethyl)-N-(o-tolyl)piperazine-1-carbothioamide CAS Name: 4-(2,3-dihydrobenzofuran-5-ylmethyl)-N-(2-methylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(2-methylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(coumaran-5-ylmethyl)-N-(o-tolyl)piperazine-1-carbothioamide Formula: C21H25N3OS MolecularWeight: 367.5077

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)N2CCN(CC2)CC3=CC4=C(C=C3)OCC4

Isomeric SMILES

CC1=CC=CC=C1NC(=S)N2CCN(CC2)CC3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C21H25N3OS/c1-16-4-2-3-5-19(16)22-21(26)24-11-9-23(10-12-24)15-17-6-7-20-18(14-17)8-13-25-20/h2-7,14H,8-13,15H2,1H3,(H,22,26)