N-[(2-methoxyphenyl)methyl]-8-(2-pyrrol-1-ylphenyl)carbonyl-3,8-diazaspiro[4.5]decane-3-carbothioamide

Systemtic Name: N-[(2-methoxyphenyl)methyl]-8-(2-pyrrol-1-ylphenyl)carbonyl-3,8-diazaspiro[4.5]decane-3-carbothioamide Openeye Name: N-[(2-methoxyphenyl)methyl]-8-(2-pyrrol-1-ylbenzoyl)-3,8-diazaspiro[4.5]decane-3-carbothioamide CAS Name: N-[(2-methoxyphenyl)methyl]-8-[oxo-[2-(1-pyrrolyl)phenyl]methyl]-3,8-diazaspiro[4.5]decane-3-carbothioamide IUPAC Name: N-[(2-methoxyphenyl)methyl]-8-(2-pyrrol-1-ylbenzoyl)-3,8-diazaspiro[4.5]decane-3-carbothioamide Traditional Name: N-o-anisyl-8-(2-pyrrol-1-ylbenzoyl)-3,8-diazaspiro[4.5]decane-3-carbothioamide Formula: C28H32N4O2S MolecularWeight: 488.64428

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CNC(=S)N2CCC3(C2)CCN(CC3)C(=O)C4=CC=CC=C4N5C=CC=C5

Isomeric SMILES

COC1=CC=CC=C1CNC(=S)N2CCC3(C2)CCN(CC3)C(=O)C4=CC=CC=C4N5C=CC=C5

InChI

InChI=1S/C28H32N4O2S/c1-34-25-11-5-2-8-22(25)20-29-27(35)32-19-14-28(21-32)12-17-31(18-13-28)26(33)23-9-3-4-10-24(23)30-15-6-7-16-30/h2-11,15-16H,12-14,17-21H2,1H3,(H,29,35)