butyl N-[[2-(butoxycarbonylcarbamothioylamino)-4-butylsulfinyl-phenyl]carbamothioyl]carbamate

Systemtic Name: butyl N-[[2-(butoxycarbonylcarbamothioylamino)-4-butylsulfinyl-phenyl]carbamothioyl]carbamate Openeye Name: butyl N-[[2-(butoxycarbonylcarbamothioylamino)-4-butylsulfinyl-phenyl]carbamothioyl]carbamate CAS Name: N-[[2-[[[[butoxy(oxo)methyl]amino]-sulfanylidenemethyl]amino]-4-butylsulfinylanilino]-sulfanylidenemethyl]carbamic acid butyl ester IUPAC Name: butyl N-[[2-(butoxycarbonylcarbamothioylamino)-4-butylsulfinylphenyl]carbamothioyl]carbamate Traditional Name: N-[[2-(butoxycarbonylthiocarbamoylamino)-4-butylsulfinyl-phenyl]thiocarbamoyl]carbamic acid butyl ester Formula: C22H34N4O5S3 MolecularWeight: 530.72416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)NC(=S)NC1=C(C=C(C=C1)S(=O)CCCC)NC(=S)NC(=O)OCCCC

Isomeric SMILES

CCCCOC(=O)NC(=S)NC1=C(C=C(C=C1)S(=O)CCCC)NC(=S)NC(=O)OCCCC

InChI

InChI=1S/C22H34N4O5S3/c1-4-7-12-30-21(27)25-19(32)23-17-11-10-16(34(29)14-9-6-3)15-18(17)24-20(33)26-22(28)31-13-8-5-2/h10-11,15H,4-9,12-14H2,1-3H3,(H2,23,25,27,32)(H2,24,26,28,33)