2,6-dimethoxy-N-[5-(1-propan-2-ylcyclohexyl)-1,2-oxazol-3-yl]benzenecarbothioamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(CCCCC1)C2=CC(=NO2)NC(=S)C3=C(C=CC=C3OC)OC

Isomeric SMILES

CC(C)C1(CCCCC1)C2=CC(=NO2)NC(=S)C3=C(C=CC=C3OC)OC

InChI

InChI=1S/C21H28N2O3S/c1-14(2)21(11-6-5-7-12-21)17-13-18(23-26-17)22-20(27)19-15(24-3)9-8-10-16(19)25-4/h8-10,13-14H,5-7,11-12H2,1-4H3,(H,22,23,27)