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

Systemtic Name: 4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(3-methylsulfanylpropyl)piperazine-1-carbothioamide Openeye Name: 4-indan-5-ylsulfonyl-N-(3-methylsulfanylpropyl)piperazine-1-carbothioamide CAS Name: 4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[3-(methylthio)propyl]-1-piperazinecarbothioamide IUPAC Name: 4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(3-methylsulfanylpropyl)piperazine-1-carbothioamide Traditional Name: 4-indan-5-ylsulfonyl-N-[3-(methylthio)propyl]piperazine-1-carbothioamide Formula: C18H27N3O2S3 MolecularWeight: 413.62088

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC3=C(CCC3)C=C2

Isomeric SMILES

CSCCCNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC3=C(CCC3)C=C2

InChI

InChI=1S/C18H27N3O2S3/c1-25-13-3-8-19-18(24)20-9-11-21(12-10-20)26(22,23)17-7-6-15-4-2-5-16(15)14-17/h6-7,14H,2-5,8-13H2,1H3,(H,19,24)