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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

InChI

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