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

Systemtic Name: N-[4-chloranyl-3-[oxidanyl(propan-2-yloxy)methyl]phenyl]-6-methyl-2,3-dihydro-1,4-dithiine-5-carbothioamide Openeye Name: N-[4-chloro-3-[hydroxy(isopropoxy)methyl]phenyl]-6-methyl-2,3-dihydro-1,4-dithiine-5-carbothioamide CAS Name: N-[4-chloro-3-[hydroxy(propan-2-yloxy)methyl]phenyl]-6-methyl-2,3-dihydro-1,4-dithiin-5-carbothioamide IUPAC Name: N-[4-chloro-3-[hydroxy(propan-2-yloxy)methyl]phenyl]-6-methyl-2,3-dihydro-1,4-dithiine-5-carbothioamide Traditional Name: N-[4-chloro-3-[hydroxy(isopropoxy)methyl]phenyl]-6-methyl-2,3-dihydro-1,4-dithiin-5-carbothioamide Formula: C16H20ClNO2S3 MolecularWeight: 389.9835

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SCCS1)C(=S)NC2=CC(=C(C=C2)Cl)C(O)OC(C)C

Isomeric SMILES

CC1=C(SCCS1)C(=S)NC2=CC(=C(C=C2)Cl)C(O)OC(C)C

InChI

InChI=1S/C16H20ClNO2S3/c1-9(2)20-16(19)12-8-11(4-5-13(12)17)18-15(21)14-10(3)22-6-7-23-14/h4-5,8-9,16,19H,6-7H2,1-3H3,(H,18,21)