N-(2-methyl-6-propan-2-yl-phenyl)-8-(2-pyrrol-1-ylphenyl)carbonyl-3,8-diazaspiro[4.5]decane-3-carbothioamide

Systemtic Name: N-(2-methyl-6-propan-2-yl-phenyl)-8-(2-pyrrol-1-ylphenyl)carbonyl-3,8-diazaspiro[4.5]decane-3-carbothioamide Openeye Name: N-(2-isopropyl-6-methyl-phenyl)-8-(2-pyrrol-1-ylbenzoyl)-3,8-diazaspiro[4.5]decane-3-carbothioamide CAS Name: N-(2-methyl-6-propan-2-ylphenyl)-8-[oxo-[2-(1-pyrrolyl)phenyl]methyl]-3,8-diazaspiro[4.5]decane-3-carbothioamide IUPAC Name: N-(2-methyl-6-propan-2-ylphenyl)-8-(2-pyrrol-1-ylbenzoyl)-3,8-diazaspiro[4.5]decane-3-carbothioamide Traditional Name: N-(2-isopropyl-6-methyl-phenyl)-8-(2-pyrrol-1-ylbenzoyl)-3,8-diazaspiro[4.5]decane-3-carbothioamide Formula: C30H36N4OS MolecularWeight: 500.69804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)NC(=S)N2CCC3(C2)CCN(CC3)C(=O)C4=CC=CC=C4N5C=CC=C5

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)NC(=S)N2CCC3(C2)CCN(CC3)C(=O)C4=CC=CC=C4N5C=CC=C5

InChI

InChI=1S/C30H36N4OS/c1-22(2)24-11-8-9-23(3)27(24)31-29(36)34-20-15-30(21-34)13-18-33(19-14-30)28(35)25-10-4-5-12-26(25)32-16-6-7-17-32/h4-12,16-17,22H,13-15,18-21H2,1-3H3,(H,31,36)