N-(3,5-dimethylphenyl)-3-(1-methyl-5-oxidanylidene-2-pyridin-3-yl-pyrrolidin-3-yl)carbonyl-3,8-diazaspiro[4.5]decane-8-carbothioamide

Systemtic Name: N-(3,5-dimethylphenyl)-3-(1-methyl-5-oxidanylidene-2-pyridin-3-yl-pyrrolidin-3-yl)carbonyl-3,8-diazaspiro[4.5]decane-8-carbothioamide Openeye Name: N-(3,5-dimethylphenyl)-3-[1-methyl-5-oxo-2-(3-pyridyl)pyrrolidine-3-carbonyl]-3,8-diazaspiro[4.5]decane-8-carbothioamide CAS Name: N-(3,5-dimethylphenyl)-3-[[1-methyl-5-oxo-2-(3-pyridinyl)-3-pyrrolidinyl]-oxomethyl]-3,8-diazaspiro[4.5]decane-8-carbothioamide IUPAC Name: N-(3,5-dimethylphenyl)-3-(1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carbonyl)-3,8-diazaspiro[4.5]decane-8-carbothioamide Traditional Name: N-(3,5-dimethylphenyl)-3-[5-keto-1-methyl-2-(3-pyridyl)pyrrolidine-3-carbonyl]-3,8-diazaspiro[4.5]decane-8-carbothioamide Formula: C28H35N5O2S MolecularWeight: 505.6748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=S)N2CCC3(CC2)CCN(C3)C(=O)C4CC(=O)N(C4C5=CN=CC=C5)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=S)N2CCC3(CC2)CCN(C3)C(=O)C4CC(=O)N(C4C5=CN=CC=C5)C)C

InChI

InChI=1S/C28H35N5O2S/c1-19-13-20(2)15-22(14-19)30-27(36)32-10-6-28(7-11-32)8-12-33(18-28)26(35)23-16-24(34)31(3)25(23)21-5-4-9-29-17-21/h4-5,9,13-15,17,23,25H,6-8,10-12,16,18H2,1-3H3,(H,30,36)