4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(2-methylprop-2-enyl)piperazine-1-carbothioamide

Systemtic Name: 4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(2-methylprop-2-enyl)piperazine-1-carbothioamide Openeye Name: 4-indan-5-ylsulfonyl-N-(2-methylallyl)piperazine-1-carbothioamide CAS Name: 4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(2-methylprop-2-enyl)-1-piperazinecarbothioamide IUPAC Name: 4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(2-methylprop-2-enyl)piperazine-1-carbothioamide Traditional Name: 4-indan-5-ylsulfonyl-N-(2-methylallyl)piperazine-1-carbothioamide Formula: C18H25N3O2S2 MolecularWeight: 379.54

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC3=C(CCC3)C=C2

Isomeric SMILES

CC(=C)CNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC3=C(CCC3)C=C2

InChI

InChI=1S/C18H25N3O2S2/c1-14(2)13-19-18(24)20-8-10-21(11-9-20)25(22,23)17-7-6-15-4-3-5-16(15)12-17/h6-7,12H,1,3-5,8-11,13H2,2H3,(H,19,24)