2,6-diethoxy-N-[3-(8-phenyl-4-propyl-octan-4-yl)-1,2-oxazol-5-yl]benzenecarbothioamide

Systemtic Name: 2,6-diethoxy-N-[3-(8-phenyl-4-propyl-octan-4-yl)-1,2-oxazol-5-yl]benzenecarbothioamide Openeye Name: 2,6-diethoxy-N-[3-(5-phenyl-1,1-dipropyl-pentyl)isoxazol-5-yl]benzenecarbothioamide CAS Name: 2,6-diethoxy-N-[3-(8-phenyl-4-propyloctan-4-yl)-5-isoxazolyl]benzenecarbothioamide IUPAC Name: 2,6-diethoxy-N-[3-(8-phenyl-4-propyloctan-4-yl)-1,2-oxazol-5-yl]benzenecarbothioamide Traditional Name: 2,6-diethoxy-N-[3-(5-phenyl-1,1-dipropyl-pentyl)isoxazol-5-yl]thiobenzamide Formula: C31H42N2O3S MolecularWeight: 522.74178

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)(CCCCC1=CC=CC=C1)C2=NOC(=C2)NC(=S)C3=C(C=CC=C3OCC)OCC

Isomeric SMILES

CCCC(CCC)(CCCCC1=CC=CC=C1)C2=NOC(=C2)NC(=S)C3=C(C=CC=C3OCC)OCC

InChI

InChI=1S/C31H42N2O3S/c1-5-20-31(21-6-2,22-13-12-17-24-15-10-9-11-16-24)27-23-28(36-33-27)32-30(37)29-25(34-7-3)18-14-19-26(29)35-8-4/h9-11,14-16,18-19,23H,5-8,12-13,17,20-22H2,1-4H3,(H,32,37)