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

Systemtic Name: 4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(3,5-dimethylphenyl)piperazine-1-carbothioamide Openeye Name: 4-(2,3-dihydrobenzofuran-5-ylmethyl)-N-(3,5-dimethylphenyl)piperazine-1-carbothioamide CAS Name: 4-(2,3-dihydrobenzofuran-5-ylmethyl)-N-(3,5-dimethylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(3,5-dimethylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(coumaran-5-ylmethyl)-N-(3,5-dimethylphenyl)piperazine-1-carbothioamide Formula: C22H27N3OS MolecularWeight: 381.53428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=S)N2CCN(CC2)CC3=CC4=C(C=C3)OCC4)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=S)N2CCN(CC2)CC3=CC4=C(C=C3)OCC4)C

InChI

InChI=1S/C22H27N3OS/c1-16-11-17(2)13-20(12-16)23-22(27)25-8-6-24(7-9-25)15-18-3-4-21-19(14-18)5-10-26-21/h3-4,11-14H,5-10,15H2,1-2H3,(H,23,27)