N-(3,5-dimethylphenyl)-3-(5-pyridin-2-ylthiophen-2-yl)carbonyl-3,8-diazaspiro[4.5]decane-8-carbothioamide

Systemtic Name: N-(3,5-dimethylphenyl)-3-(5-pyridin-2-ylthiophen-2-yl)carbonyl-3,8-diazaspiro[4.5]decane-8-carbothioamide Openeye Name: N-(3,5-dimethylphenyl)-3-[5-(2-pyridyl)thiophene-2-carbonyl]-3,8-diazaspiro[4.5]decane-8-carbothioamide CAS Name: N-(3,5-dimethylphenyl)-3-[oxo-[5-(2-pyridinyl)-2-thiophenyl]methyl]-3,8-diazaspiro[4.5]decane-8-carbothioamide IUPAC Name: N-(3,5-dimethylphenyl)-3-(5-pyridin-2-ylthiophene-2-carbonyl)-3,8-diazaspiro[4.5]decane-8-carbothioamide Traditional Name: N-(3,5-dimethylphenyl)-3-[5-(2-pyridyl)thiophene-2-carbonyl]-3,8-diazaspiro[4.5]decane-8-carbothioamide Formula: C27H30N4OS2 MolecularWeight: 490.6833

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=S)N2CCC3(CC2)CCN(C3)C(=O)C4=CC=C(S4)C5=CC=CC=N5)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=S)N2CCC3(CC2)CCN(C3)C(=O)C4=CC=C(S4)C5=CC=CC=N5)C

InChI

InChI=1S/C27H30N4OS2/c1-19-15-20(2)17-21(16-19)29-26(33)30-12-8-27(9-13-30)10-14-31(18-27)25(32)24-7-6-23(34-24)22-5-3-4-11-28-22/h3-7,11,15-17H,8-10,12-14,18H2,1-2H3,(H,29,33)