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

Systemtic Name: N-cyclohexyl-8-(2-pyrrol-1-ylphenyl)carbonyl-3,8-diazaspiro[4.5]decane-3-carbothioamide Openeye Name: N-cyclohexyl-8-(2-pyrrol-1-ylbenzoyl)-3,8-diazaspiro[4.5]decane-3-carbothioamide CAS Name: N-cyclohexyl-8-[oxo-[2-(1-pyrrolyl)phenyl]methyl]-3,8-diazaspiro[4.5]decane-3-carbothioamide IUPAC Name: N-cyclohexyl-8-(2-pyrrol-1-ylbenzoyl)-3,8-diazaspiro[4.5]decane-3-carbothioamide Traditional Name: N-cyclohexyl-8-(2-pyrrol-1-ylbenzoyl)-3,8-diazaspiro[4.5]decane-3-carbothioamide Formula: C26H34N4OS MolecularWeight: 450.63936

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=S)N2CCC3(C2)CCN(CC3)C(=O)C4=CC=CC=C4N5C=CC=C5

Isomeric SMILES

C1CCC(CC1)NC(=S)N2CCC3(C2)CCN(CC3)C(=O)C4=CC=CC=C4N5C=CC=C5

InChI

InChI=1S/C26H34N4OS/c31-24(22-10-4-5-11-23(22)28-15-6-7-16-28)29-17-12-26(13-18-29)14-19-30(20-26)25(32)27-21-8-2-1-3-9-21/h4-7,10-11,15-16,21H,1-3,8-9,12-14,17-20H2,(H,27,32)