N-[4-chloranyl-3-[oxidanyl(propan-2-yloxy)methyl]phenyl]-6-phenyl-2,3-dihydro-1,4-oxathiine-5-carbothioamide

Systemtic Name: N-[4-chloranyl-3-[oxidanyl(propan-2-yloxy)methyl]phenyl]-6-phenyl-2,3-dihydro-1,4-oxathiine-5-carbothioamide Openeye Name: N-[4-chloro-3-[hydroxy(isopropoxy)methyl]phenyl]-6-phenyl-2,3-dihydro-1,4-oxathiine-5-carbothioamide CAS Name: N-[4-chloro-3-[hydroxy(propan-2-yloxy)methyl]phenyl]-6-phenyl-2,3-dihydro-1,4-oxathiin-5-carbothioamide IUPAC Name: N-[4-chloro-3-[hydroxy(propan-2-yloxy)methyl]phenyl]-6-phenyl-2,3-dihydro-1,4-oxathiine-5-carbothioamide Traditional Name: N-[4-chloro-3-[hydroxy(isopropoxy)methyl]phenyl]-6-phenyl-2,3-dihydro-1,4-oxathiin-5-carbothioamide Formula: C21H22ClNO3S2 MolecularWeight: 435.98728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(C1=C(C=CC(=C1)NC(=S)C2=C(OCCS2)C3=CC=CC=C3)Cl)O

Isomeric SMILES

CC(C)OC(C1=C(C=CC(=C1)NC(=S)C2=C(OCCS2)C3=CC=CC=C3)Cl)O

InChI

InChI=1S/C21H22ClNO3S2/c1-13(2)26-21(24)16-12-15(8-9-17(16)22)23-20(27)19-18(25-10-11-28-19)14-6-4-3-5-7-14/h3-9,12-13,21,24H,10-11H2,1-2H3,(H,23,27)