methyl 4-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]carbothioylamino]butanoate

Systemtic Name: methyl 4-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]carbothioylamino]butanoate Openeye Name: methyl 4-[(4-indan-5-ylsulfonylpiperazine-1-carbothioyl)amino]butanoate CAS Name: 4-[[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazinyl]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine-1-carbothioyl]amino]butanoate Traditional Name: 4-[(4-indan-5-ylsulfonylpiperazine-1-carbothioyl)amino]butyric acid methyl ester Formula: C19H27N3O4S2 MolecularWeight: 425.56538

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC3=C(CCC3)C=C2

Isomeric SMILES

COC(=O)CCCNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC3=C(CCC3)C=C2

InChI

InChI=1S/C19H27N3O4S2/c1-26-18(23)6-3-9-20-19(27)21-10-12-22(13-11-21)28(24,25)17-8-7-15-4-2-5-16(15)14-17/h7-8,14H,2-6,9-13H2,1H3,(H,20,27)