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

Systemtic Name: 4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(2-dimethylaminoethyl)piperazine-1-carbothioamide Openeye Name: N-(2-dimethylaminoethyl)-4-indan-5-ylsulfonyl-piperazine-1-carbothioamide CAS Name: 4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(2-dimethylaminoethyl)-1-piperazinecarbothioamide IUPAC Name: 4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(2-dimethylaminoethyl)piperazine-1-carbothioamide Traditional Name: N-(2-dimethylaminoethyl)-4-indan-5-ylsulfonyl-piperazine-1-carbothioamide Formula: C18H28N4O2S2 MolecularWeight: 396.57052

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC3=C(CCC3)C=C2

Isomeric SMILES

CN(C)CCNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC3=C(CCC3)C=C2

InChI

InChI=1S/C18H28N4O2S2/c1-20(2)9-8-19-18(25)21-10-12-22(13-11-21)26(23,24)17-7-6-15-4-3-5-16(15)14-17/h6-7,14H,3-5,8-13H2,1-2H3,(H,19,25)