N-[3-(7-chloranyl-3-ethyl-heptan-3-yl)-1,2-oxazol-5-yl]-2,6-dimethoxy-benzenecarbothioamide

Systemtic Name: N-[3-(7-chloranyl-3-ethyl-heptan-3-yl)-1,2-oxazol-5-yl]-2,6-dimethoxy-benzenecarbothioamide Openeye Name: N-[3-(5-chloro-1,1-diethyl-pentyl)isoxazol-5-yl]-2,6-dimethoxy-benzenecarbothioamide CAS Name: N-[3-(7-chloro-3-ethylheptan-3-yl)-5-isoxazolyl]-2,6-dimethoxybenzenecarbothioamide IUPAC Name: N-[3-(7-chloro-3-ethylheptan-3-yl)-1,2-oxazol-5-yl]-2,6-dimethoxybenzenecarbothioamide Traditional Name: N-[3-(5-chloro-1,1-diethyl-pentyl)isoxazol-5-yl]-2,6-dimethoxy-thiobenzamide Formula: C21H29ClN2O3S MolecularWeight: 424.98456

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CCCCCl)C1=NOC(=C1)NC(=S)C2=C(C=CC=C2OC)OC

Isomeric SMILES

CCC(CC)(CCCCCl)C1=NOC(=C1)NC(=S)C2=C(C=CC=C2OC)OC

InChI

InChI=1S/C21H29ClN2O3S/c1-5-21(6-2,12-7-8-13-22)17-14-18(27-24-17)23-20(28)19-15(25-3)10-9-11-16(19)26-4/h9-11,14H,5-8,12-13H2,1-4H3,(H,23,28)