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

Systemtic Name: N-(1-phenylethyl)-8-(2-pyrrol-1-ylphenyl)carbonyl-3,8-diazaspiro[4.5]decane-3-carbothioamide Openeye Name: N-(1-phenylethyl)-8-(2-pyrrol-1-ylbenzoyl)-3,8-diazaspiro[4.5]decane-3-carbothioamide CAS Name: 8-[oxo-[2-(1-pyrrolyl)phenyl]methyl]-N-(1-phenylethyl)-3,8-diazaspiro[4.5]decane-3-carbothioamide IUPAC Name: N-(1-phenylethyl)-8-(2-pyrrol-1-ylbenzoyl)-3,8-diazaspiro[4.5]decane-3-carbothioamide Traditional Name: N-(1-phenylethyl)-8-(2-pyrrol-1-ylbenzoyl)-3,8-diazaspiro[4.5]decane-3-carbothioamide Formula: C28H32N4OS MolecularWeight: 472.64488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H32N4OS/c1-22(23-9-3-2-4-10-23)29-27(34)32-20-15-28(21-32)13-18-31(19-14-28)26(33)24-11-5-6-12-25(24)30-16-7-8-17-30/h2-12,16-17,22H,13-15,18-21H2,1H3,(H,29,34)