methyl 4-[3-[(4-methoxy-3,3-dimethyl-4-oxidanylidene-butyl)carbamothioylamino]propylcarbamothioylamino]-2,2-dimethyl-butanoate

Systemtic Name: methyl 4-[3-[(4-methoxy-3,3-dimethyl-4-oxidanylidene-butyl)carbamothioylamino]propylcarbamothioylamino]-2,2-dimethyl-butanoate Openeye Name: methyl 4-[3-[(4-methoxy-3,3-dimethyl-4-oxo-butyl)carbamothioylamino]propylcarbamothioylamino]-2,2-dimethyl-butanoate CAS Name: 4-[[[3-[[[(4-methoxy-3,3-dimethyl-4-oxobutyl)amino]-sulfanylidenemethyl]amino]propylamino]-sulfanylidenemethyl]amino]-2,2-dimethylbutanoic acid methyl ester IUPAC Name: methyl 4-[3-[(4-methoxy-3,3-dimethyl-4-oxobutyl)carbamothioylamino]propylcarbamothioylamino]-2,2-dimethylbutanoate Traditional Name: 4-[3-[(4-keto-4-methoxy-3,3-dimethyl-butyl)thiocarbamoylamino]propylthiocarbamoylamino]-2,2-dimethyl-butyric acid methyl ester Formula: C19H36N4O4S2 MolecularWeight: 448.64354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCNC(=S)NCCCNC(=S)NCCC(C)(C)C(=O)OC)C(=O)OC

Isomeric SMILES

CC(C)(CCNC(=S)NCCCNC(=S)NCCC(C)(C)C(=O)OC)C(=O)OC

InChI

InChI=1S/C19H36N4O4S2/c1-18(2,14(24)26-5)8-12-22-16(28)20-10-7-11-21-17(29)23-13-9-19(3,4)15(25)27-6/h7-13H2,1-6H3,(H2,20,22,28)(H2,21,23,29)