N-[3-(1-cycloheptyl-2-methyl-propan-2-yl)-1,2-oxazol-5-yl]-2,6-dipropoxy-benzenecarbothioamide

Systemtic Name: N-[3-(1-cycloheptyl-2-methyl-propan-2-yl)-1,2-oxazol-5-yl]-2,6-dipropoxy-benzenecarbothioamide Openeye Name: N-[3-(2-cycloheptyl-1,1-dimethyl-ethyl)isoxazol-5-yl]-2,6-dipropoxy-benzenecarbothioamide CAS Name: N-[3-(1-cycloheptyl-2-methylpropan-2-yl)-5-isoxazolyl]-2,6-dipropoxybenzenecarbothioamide IUPAC Name: N-[3-(1-cycloheptyl-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2,6-dipropoxybenzenecarbothioamide Traditional Name: N-[3-(2-cycloheptyl-1,1-dimethyl-ethyl)isoxazol-5-yl]-2,6-dipropoxy-thiobenzamide Formula: C27H40N2O3S MolecularWeight: 472.6831

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C(=CC=C1)OCCC)C(=S)NC2=CC(=NO2)C(C)(C)CC3CCCCCC3

Isomeric SMILES

CCCOC1=C(C(=CC=C1)OCCC)C(=S)NC2=CC(=NO2)C(C)(C)CC3CCCCCC3

InChI

InChI=1S/C27H40N2O3S/c1-5-16-30-21-14-11-15-22(31-17-6-2)25(21)26(33)28-24-18-23(29-32-24)27(3,4)19-20-12-9-7-8-10-13-20/h11,14-15,18,20H,5-10,12-13,16-17,19H2,1-4H3,(H,28,33)