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

Systemtic Name: N-(2-methyl-6-propan-2-yl-phenyl)-8-(3-phenylprop-2-ynoyl)-3,8-diazaspiro[4.5]decane-3-carbothioamide Openeye Name: N-(2-isopropyl-6-methyl-phenyl)-8-(3-phenylprop-2-ynoyl)-3,8-diazaspiro[4.5]decane-3-carbothioamide CAS Name: N-(2-methyl-6-propan-2-ylphenyl)-8-(1-oxo-3-phenylprop-2-ynyl)-3,8-diazaspiro[4.5]decane-3-carbothioamide IUPAC Name: N-(2-methyl-6-propan-2-ylphenyl)-8-(3-phenylprop-2-ynoyl)-3,8-diazaspiro[4.5]decane-3-carbothioamide Traditional Name: N-(2-isopropyl-6-methyl-phenyl)-8-(3-phenylpropioloyl)-3,8-diazaspiro[4.5]decane-3-carbothioamide Formula: C28H33N3OS MolecularWeight: 459.64612

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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)C#CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)NC(=S)N2CCC3(C2)CCN(CC3)C(=O)C#CC4=CC=CC=C4

InChI

InChI=1S/C28H33N3OS/c1-21(2)24-11-7-8-22(3)26(24)29-27(33)31-19-16-28(20-31)14-17-30(18-15-28)25(32)13-12-23-9-5-4-6-10-23/h4-11,21H,14-20H2,1-3H3,(H,29,33)