3-oxidanylidene-2-propan-2-yl-N-propyl-4-(2-pyridin-2-ylethyl)-1,4,8-triazaspiro[4.5]decane-8-carbothioamide

Systemtic Name: 3-oxidanylidene-2-propan-2-yl-N-propyl-4-(2-pyridin-2-ylethyl)-1,4,8-triazaspiro[4.5]decane-8-carbothioamide Openeye Name: 2-isopropyl-3-oxo-N-propyl-4-[2-(2-pyridyl)ethyl]-1,4,8-triazaspiro[4.5]decane-8-carbothioamide CAS Name: 3-oxo-2-propan-2-yl-N-propyl-4-[2-(2-pyridinyl)ethyl]-1,4,8-triazaspiro[4.5]decane-8-carbothioamide IUPAC Name: 3-oxo-2-propan-2-yl-N-propyl-4-(2-pyridin-2-ylethyl)-1,4,8-triazaspiro[4.5]decane-8-carbothioamide Traditional Name: 2-isopropyl-3-keto-N-propyl-4-[2-(2-pyridyl)ethyl]-1,4,8-triazaspiro[4.5]decane-8-carbothioamide Formula: C21H33N5OS MolecularWeight: 403.58462

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=S)N1CCC2(CC1)NC(C(=O)N2CCC3=CC=CC=N3)C(C)C

Isomeric SMILES

CCCNC(=S)N1CCC2(CC1)NC(C(=O)N2CCC3=CC=CC=N3)C(C)C

InChI

InChI=1S/C21H33N5OS/c1-4-11-23-20(28)25-14-9-21(10-15-25)24-18(16(2)3)19(27)26(21)13-8-17-7-5-6-12-22-17/h5-7,12,16,18,24H,4,8-11,13-15H2,1-3H3,(H,23,28)