N-(4-methylsulfanylphenyl)-8-(2-pyrrol-1-ylphenyl)carbonyl-3,8-diazaspiro[4.5]decane-3-carbothioamide

Systemtic Name: N-(4-methylsulfanylphenyl)-8-(2-pyrrol-1-ylphenyl)carbonyl-3,8-diazaspiro[4.5]decane-3-carbothioamide Openeye Name: N-(4-methylsulfanylphenyl)-8-(2-pyrrol-1-ylbenzoyl)-3,8-diazaspiro[4.5]decane-3-carbothioamide CAS Name: N-[4-(methylthio)phenyl]-8-[oxo-[2-(1-pyrrolyl)phenyl]methyl]-3,8-diazaspiro[4.5]decane-3-carbothioamide IUPAC Name: N-(4-methylsulfanylphenyl)-8-(2-pyrrol-1-ylbenzoyl)-3,8-diazaspiro[4.5]decane-3-carbothioamide Traditional Name: N-[4-(methylthio)phenyl]-8-(2-pyrrol-1-ylbenzoyl)-3,8-diazaspiro[4.5]decane-3-carbothioamide Formula: C27H30N4OS2 MolecularWeight: 490.6833

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC(=S)N2CCC3(C2)CCN(CC3)C(=O)C4=CC=CC=C4N5C=CC=C5

Isomeric SMILES

CSC1=CC=C(C=C1)NC(=S)N2CCC3(C2)CCN(CC3)C(=O)C4=CC=CC=C4N5C=CC=C5

InChI

InChI=1S/C27H30N4OS2/c1-34-22-10-8-21(9-11-22)28-26(33)31-19-14-27(20-31)12-17-30(18-13-27)25(32)23-6-2-3-7-24(23)29-15-4-5-16-29/h2-11,15-16H,12-14,17-20H2,1H3,(H,28,33)