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

Systemtic Name: 4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(2-methylphenyl)piperazine-1-carbothioamide Openeye Name: 4-indan-5-ylsulfonyl-N-(o-tolyl)piperazine-1-carbothioamide CAS Name: 4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(2-methylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(2-methylphenyl)piperazine-1-carbothioamide Traditional Name: 4-indan-5-ylsulfonyl-N-(o-tolyl)piperazine-1-carbothioamide Formula: C21H25N3O2S2 MolecularWeight: 415.5721

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

Isomeric SMILES

CC1=CC=CC=C1NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

InChI

InChI=1S/C21H25N3O2S2/c1-16-5-2-3-8-20(16)22-21(27)23-11-13-24(14-12-23)28(25,26)19-10-9-17-6-4-7-18(17)15-19/h2-3,5,8-10,15H,4,6-7,11-14H2,1H3,(H,22,27)