S-methyl 4-[6-[5,5-dimethyl-4-oxidanylidene-3-(1-oxidanylidene-2,3-dihydroinden-5-yl)-2-sulfanylidene-imidazolidin-1-yl]hexyl]piperazine-1-carbothioate

Systemtic Name: S-methyl 4-[6-[5,5-dimethyl-4-oxidanylidene-3-(1-oxidanylidene-2,3-dihydroinden-5-yl)-2-sulfanylidene-imidazolidin-1-yl]hexyl]piperazine-1-carbothioate Openeye Name: S-methyl 4-[6-[5,5-dimethyl-4-oxo-3-(1-oxoindan-5-yl)-2-thioxo-imidazolidin-1-yl]hexyl]piperazine-1-carbothioate CAS Name: 4-[6-[5,5-dimethyl-4-oxo-3-(1-oxo-2,3-dihydroinden-5-yl)-2-sulfanylidene-1-imidazolidinyl]hexyl]-1-piperazinecarbothioic acid S-methyl ester IUPAC Name: S-methyl 4-[6-[5,5-dimethyl-4-oxo-3-(1-oxo-2,3-dihydroinden-5-yl)-2-sulfanylideneimidazolidin-1-yl]hexyl]piperazine-1-carbothioate Traditional Name: 4-[6-[4-keto-3-(1-ketoindan-5-yl)-5,5-dimethyl-2-thioxo-imidazolidin-1-yl]hexyl]piperazine-1-carbothioic acid S-methyl ester Formula: C26H36N4O3S2 MolecularWeight: 516.71904

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(C(=S)N1CCCCCCN2CCN(CC2)C(=O)SC)C3=CC4=C(C=C3)C(=O)CC4)C

Isomeric SMILES

CC1(C(=O)N(C(=S)N1CCCCCCN2CCN(CC2)C(=O)SC)C3=CC4=C(C=C3)C(=O)CC4)C

InChI

InChI=1S/C26H36N4O3S2/c1-26(2)23(32)30(20-9-10-21-19(18-20)8-11-22(21)31)24(34)29(26)13-7-5-4-6-12-27-14-16-28(17-15-27)25(33)35-3/h9-10,18H,4-8,11-17H2,1-3H3