propyl N-[[2-(propoxycarbonylcarbamothioylamino)-4-propylsulfinyl-phenyl]carbamothioyl]carbamate

Systemtic Name: propyl N-[[2-(propoxycarbonylcarbamothioylamino)-4-propylsulfinyl-phenyl]carbamothioyl]carbamate Openeye Name: propyl N-[[2-(propoxycarbonylcarbamothioylamino)-4-propylsulfinyl-phenyl]carbamothioyl]carbamate CAS Name: N-[[2-[[[[oxo(propoxy)methyl]amino]-sulfanylidenemethyl]amino]-4-propylsulfinylanilino]-sulfanylidenemethyl]carbamic acid propyl ester IUPAC Name: propyl N-[[2-(propoxycarbonylcarbamothioylamino)-4-propylsulfinylphenyl]carbamothioyl]carbamate Traditional Name: N-[[2-(propoxycarbonylthiocarbamoylamino)-4-propylsulfinyl-phenyl]thiocarbamoyl]carbamic acid propyl ester Formula: C19H28N4O5S3 MolecularWeight: 488.64442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)NC(=S)NC1=C(C=C(C=C1)S(=O)CCC)NC(=S)NC(=O)OCCC

Isomeric SMILES

CCCOC(=O)NC(=S)NC1=C(C=C(C=C1)S(=O)CCC)NC(=S)NC(=O)OCCC

InChI

InChI=1S/C19H28N4O5S3/c1-4-9-27-18(24)22-16(29)20-14-8-7-13(31(26)11-6-3)12-15(14)21-17(30)23-19(25)28-10-5-2/h7-8,12H,4-6,9-11H2,1-3H3,(H2,20,22,24,29)(H2,21,23,25,30)