ethyl N-[[5-cyclohexylsulfanyl-2-(ethoxycarbonylcarbamothioylamino)pyridin-3-yl]carbamothioyl]carbamate

Systemtic Name: ethyl N-[[5-cyclohexylsulfanyl-2-(ethoxycarbonylcarbamothioylamino)pyridin-3-yl]carbamothioyl]carbamate Openeye Name: ethyl N-[[5-cyclohexylsulfanyl-2-(ethoxycarbonylcarbamothioylamino)-3-pyridyl]carbamothioyl]carbamate CAS Name: N-[[[5-(cyclohexylthio)-2-[[(ethoxycarbonylamino)-sulfanylidenemethyl]amino]-3-pyridinyl]amino]-sulfanylidenemethyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[[5-cyclohexylsulfanyl-2-(ethoxycarbonylcarbamothioylamino)pyridin-3-yl]carbamothioyl]carbamate Traditional Name: N-[[2-(carbethoxythiocarbamoylamino)-5-(cyclohexylthio)-3-pyridyl]thiocarbamoyl]carbamic acid ethyl ester Formula: C19H27N5O4S3 MolecularWeight: 485.64378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=S)NC1=CC(=CN=C1NC(=S)NC(=O)OCC)SC2CCCCC2

Isomeric SMILES

CCOC(=O)NC(=S)NC1=CC(=CN=C1NC(=S)NC(=O)OCC)SC2CCCCC2

InChI

InChI=1S/C19H27N5O4S3/c1-3-27-18(25)23-16(29)21-14-10-13(31-12-8-6-5-7-9-12)11-20-15(14)22-17(30)24-19(26)28-4-2/h10-12H,3-9H2,1-2H3,(H2,21,23,25,29)(H2,20,22,24,26,30)