(5-methyl-1,2-oxazol-3-yl)methyl 8-(2-propan-2-ylphenyl)imino-9-thia-7-azaspiro[4.5]decane-7-carbodithioate

Systemtic Name: (5-methyl-1,2-oxazol-3-yl)methyl 8-(2-propan-2-ylphenyl)imino-9-thia-7-azaspiro[4.5]decane-7-carbodithioate Openeye Name: (5-methylisoxazol-3-yl)methyl 8-(2-isopropylphenyl)imino-9-thia-7-azaspiro[4.5]decane-7-carbodithioate CAS Name: 8-(2-propan-2-ylphenyl)imino-9-thia-7-azaspiro[4.5]decane-7-carbodithioic acid (5-methyl-3-isoxazolyl)methyl ester IUPAC Name: (5-methyl-1,2-oxazol-3-yl)methyl 8-(2-propan-2-ylphenyl)imino-9-thia-7-azaspiro[4.5]decane-7-carbodithioate Traditional Name: 8-o-cumenylimino-9-thia-7-azaspiro[4.5]decane-7-carbodithioic acid (5-methylisoxazol-3-yl)methyl ester Formula: C23H29N3OS3 MolecularWeight: 459.69086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CSC(=S)N2CC3(CCCC3)CSC2=NC4=CC=CC=C4C(C)C

Isomeric SMILES

CC1=CC(=NO1)CSC(=S)N2CC3(CCCC3)CSC2=NC4=CC=CC=C4C(C)C

InChI

InChI=1S/C23H29N3OS3/c1-16(2)19-8-4-5-9-20(19)24-21-26(14-23(15-30-21)10-6-7-11-23)22(28)29-13-18-12-17(3)27-25-18/h4-5,8-9,12,16H,6-7,10-11,13-15H2,1-3H3