(4-chloranyl-3-propan-2-yloxycarbonyl-phenyl)carbamothioic S-acid

Systemtic Name: (4-chloranyl-3-propan-2-yloxycarbonyl-phenyl)carbamothioic S-acid Openeye Name: (4-chloro-3-isopropoxycarbonyl-phenyl)carbamothioic S-acid CAS Name: [4-chloro-3-[oxo(propan-2-yloxy)methyl]phenyl]carbamothioic S-acid IUPAC Name: (4-chloro-3-propan-2-yloxycarbonylphenyl)carbamothioic S-acid Traditional Name: (4-chloro-3-isopropoxycarbonyl-phenyl)thiocarbamic S-acid Formula: C11H12ClNO3S MolecularWeight: 273.73588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=C(C=CC(=C1)NC(=O)S)Cl

Isomeric SMILES

CC(C)OC(=O)C1=C(C=CC(=C1)NC(=O)S)Cl

InChI

InChI=1S/C11H12ClNO3S/c1-6(2)16-10(14)8-5-7(13-11(15)17)3-4-9(8)12/h3-6H,1-2H3,(H2,13,15,17)