(5-methyl-2-propan-2-yl-cyclohexyl) 2-[2-[(ethylcarbamothioylamino)carbamoyl]phenyl]sulfanylethanoate

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 2-[2-[(ethylcarbamothioylamino)carbamoyl]phenyl]sulfanylethanoate Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 2-[2-[(ethylcarbamothioylamino)carbamoyl]phenyl]sulfanylacetate CAS Name: 2-[[2-[[[ethylamino(sulfanylidene)methyl]hydrazo]-oxomethyl]phenyl]thio]acetic acid (5-methyl-2-propan-2-ylcyclohexyl) ester IUPAC Name: (5-methyl-2-propan-2-ylcyclohexyl) 2-[2-[(ethylcarbamothioylamino)carbamoyl]phenyl]sulfanylacetate Traditional Name: 2-[[2-[(ethylthiocarbamoylamino)carbamoyl]phenyl]thio]acetic acid (2-isopropyl-5-methyl-cyclohexyl) ester Formula: C22H33N3O3S2 MolecularWeight: 451.64572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NNC(=O)C1=CC=CC=C1SCC(=O)OC2CC(CCC2C(C)C)C

Isomeric SMILES

CCNC(=S)NNC(=O)C1=CC=CC=C1SCC(=O)OC2CC(CCC2C(C)C)C

InChI

InChI=1S/C22H33N3O3S2/c1-5-23-22(29)25-24-21(27)17-8-6-7-9-19(17)30-13-20(26)28-18-12-15(4)10-11-16(18)14(2)3/h6-9,14-16,18H,5,10-13H2,1-4H3,(H,24,27)(H2,23,25,29)