N-(3,5-dimethoxyphenyl)-8-(2-pyrrol-1-ylphenyl)carbonyl-3,8-diazaspiro[4.5]decane-3-carbothioamide

Systemtic Name: N-(3,5-dimethoxyphenyl)-8-(2-pyrrol-1-ylphenyl)carbonyl-3,8-diazaspiro[4.5]decane-3-carbothioamide Openeye Name: N-(3,5-dimethoxyphenyl)-8-(2-pyrrol-1-ylbenzoyl)-3,8-diazaspiro[4.5]decane-3-carbothioamide CAS Name: N-(3,5-dimethoxyphenyl)-8-[oxo-[2-(1-pyrrolyl)phenyl]methyl]-3,8-diazaspiro[4.5]decane-3-carbothioamide IUPAC Name: N-(3,5-dimethoxyphenyl)-8-(2-pyrrol-1-ylbenzoyl)-3,8-diazaspiro[4.5]decane-3-carbothioamide Traditional Name: N-(3,5-dimethoxyphenyl)-8-(2-pyrrol-1-ylbenzoyl)-3,8-diazaspiro[4.5]decane-3-carbothioamide Formula: C28H32N4O3S MolecularWeight: 504.64368

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=S)N2CCC3(C2)CCN(CC3)C(=O)C4=CC=CC=C4N5C=CC=C5)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=S)N2CCC3(C2)CCN(CC3)C(=O)C4=CC=CC=C4N5C=CC=C5)OC

InChI

InChI=1S/C28H32N4O3S/c1-34-22-17-21(18-23(19-22)35-2)29-27(36)32-16-11-28(20-32)9-14-31(15-10-28)26(33)24-7-3-4-8-25(24)30-12-5-6-13-30/h3-8,12-13,17-19H,9-11,14-16,20H2,1-2H3,(H,29,36)