2-(2-ethylsulfanylpyridin-3-yl)carbonyl-N-(2-pyridin-3-yl-2-pyrrolidin-1-yl-ethyl)-2,8-diazaspiro[4.5]decane-4-carboxamide

Systemtic Name: 2-(2-ethylsulfanylpyridin-3-yl)carbonyl-N-(2-pyridin-3-yl-2-pyrrolidin-1-yl-ethyl)-2,8-diazaspiro[4.5]decane-4-carboxamide Openeye Name: 2-(2-ethylsulfanylpyridine-3-carbonyl)-N-[2-(3-pyridyl)-2-pyrrolidin-1-yl-ethyl]-2,8-diazaspiro[4.5]decane-4-carboxamide CAS Name: 2-[[2-(ethylthio)-3-pyridinyl]-oxomethyl]-N-[2-(3-pyridinyl)-2-(1-pyrrolidinyl)ethyl]-2,8-diazaspiro[4.5]decane-4-carboxamide IUPAC Name: 2-(2-ethylsulfanylpyridine-3-carbonyl)-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)-2,8-diazaspiro[4.5]decane-4-carboxamide Traditional Name: 2-[2-(ethylthio)nicotinoyl]-N-[2-(3-pyridyl)-2-pyrrolidino-ethyl]-2,8-diazaspiro[4.5]decane-4-carboxamide Formula: C28H38N6O2S MolecularWeight: 522.70532

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C=CC=N1)C(=O)N2CC(C3(C2)CCNCC3)C(=O)NCC(C4=CN=CC=C4)N5CCCC5

Isomeric SMILES

CCSC1=C(C=CC=N1)C(=O)N2CC(C3(C2)CCNCC3)C(=O)NCC(C4=CN=CC=C4)N5CCCC5

InChI

InChI=1S/C28H38N6O2S/c1-2-37-26-22(8-6-12-31-26)27(36)34-19-23(28(20-34)9-13-29-14-10-28)25(35)32-18-24(33-15-3-4-16-33)21-7-5-11-30-17-21/h5-8,11-12,17,23-24,29H,2-4,9-10,13-16,18-20H2,1H3,(H,32,35)