2,6-diethoxy-N-[3-(1-propylcyclobutyl)-1,2-oxazol-5-yl]benzenecarbothioamide

Systemtic Name: 2,6-diethoxy-N-[3-(1-propylcyclobutyl)-1,2-oxazol-5-yl]benzenecarbothioamide Openeye Name: 2,6-diethoxy-N-[3-(1-propylcyclobutyl)isoxazol-5-yl]benzenecarbothioamide CAS Name: 2,6-diethoxy-N-[3-(1-propylcyclobutyl)-5-isoxazolyl]benzenecarbothioamide IUPAC Name: 2,6-diethoxy-N-[3-(1-propylcyclobutyl)-1,2-oxazol-5-yl]benzenecarbothioamide Traditional Name: 2,6-diethoxy-N-[3-(1-propylcyclobutyl)isoxazol-5-yl]thiobenzamide Formula: C21H28N2O3S MolecularWeight: 388.52362

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(CCC1)C2=NOC(=C2)NC(=S)C3=C(C=CC=C3OCC)OCC

Isomeric SMILES

CCCC1(CCC1)C2=NOC(=C2)NC(=S)C3=C(C=CC=C3OCC)OCC

InChI

InChI=1S/C21H28N2O3S/c1-4-11-21(12-8-13-21)17-14-18(26-23-17)22-20(27)19-15(24-5-2)9-7-10-16(19)25-6-3/h7,9-10,14H,4-6,8,11-13H2,1-3H3,(H,22,27)