N-(2-methyl-6-propan-2-yl-phenyl)-8-(2-methylsulfanylpyridin-3-yl)carbonyl-3,8-diazaspiro[4.5]decane-3-carbothioamide

Systemtic Name: N-(2-methyl-6-propan-2-yl-phenyl)-8-(2-methylsulfanylpyridin-3-yl)carbonyl-3,8-diazaspiro[4.5]decane-3-carbothioamide Openeye Name: N-(2-isopropyl-6-methyl-phenyl)-8-(2-methylsulfanylpyridine-3-carbonyl)-3,8-diazaspiro[4.5]decane-3-carbothioamide CAS Name: N-(2-methyl-6-propan-2-ylphenyl)-8-[[2-(methylthio)-3-pyridinyl]-oxomethyl]-3,8-diazaspiro[4.5]decane-3-carbothioamide IUPAC Name: N-(2-methyl-6-propan-2-ylphenyl)-8-(2-methylsulfanylpyridine-3-carbonyl)-3,8-diazaspiro[4.5]decane-3-carbothioamide Traditional Name: N-(2-isopropyl-6-methyl-phenyl)-8-[2-(methylthio)nicotinoyl]-3,8-diazaspiro[4.5]decane-3-carbothioamide Formula: C26H34N4OS2 MolecularWeight: 482.70436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)NC(=S)N2CCC3(C2)CCN(CC3)C(=O)C4=C(N=CC=C4)SC

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)NC(=S)N2CCC3(C2)CCN(CC3)C(=O)C4=C(N=CC=C4)SC

InChI

InChI=1S/C26H34N4OS2/c1-18(2)20-8-5-7-19(3)22(20)28-25(32)30-16-12-26(17-30)10-14-29(15-11-26)24(31)21-9-6-13-27-23(21)33-4/h5-9,13,18H,10-12,14-17H2,1-4H3,(H,28,32)