2-chloranyl-3-cyclohexylcarbonyl-6-(dimethylcarbamoylamino)benzenecarbothioic S-acid

Systemtic Name: 2-chloranyl-3-cyclohexylcarbonyl-6-(dimethylcarbamoylamino)benzenecarbothioic S-acid Openeye Name: 2-chloro-3-(cyclohexanecarbonyl)-6-(dimethylcarbamoylamino)benzenecarbothioic S-acid CAS Name: 2-chloro-3-[cyclohexyl(oxo)methyl]-6-[[dimethylamino(oxo)methyl]amino]benzenecarbothioic S-acid IUPAC Name: 2-chloro-3-(cyclohexanecarbonyl)-6-(dimethylcarbamoylamino)benzenecarbothioic S-acid Traditional Name: 2-chloro-3-(cyclohexanecarbonyl)-6-(dimethylcarbamoylamino)thiobenzoic acid Formula: C17H21ClN2O3S MolecularWeight: 368.87824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)NC1=C(C(=C(C=C1)C(=O)C2CCCCC2)Cl)C(=O)S

Isomeric SMILES

CN(C)C(=O)NC1=C(C(=C(C=C1)C(=O)C2CCCCC2)Cl)C(=O)S

InChI

InChI=1S/C17H21ClN2O3S/c1-20(2)17(23)19-12-9-8-11(14(18)13(12)16(22)24)15(21)10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3,(H,19,23)(H,22,24)