methyl N-[[4-butylsulfinyl-2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate

Systemtic Name: methyl N-[[4-butylsulfinyl-2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate Openeye Name: methyl N-[[4-butylsulfinyl-2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate CAS Name: N-[[4-butylsulfinyl-2-[[(methoxycarbonylamino)-sulfanylidenemethyl]amino]anilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[4-butylsulfinyl-2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate Traditional Name: N-[[4-butylsulfinyl-2-(carbomethoxythiocarbamoylamino)phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C16H22N4O5S3 MolecularWeight: 446.56468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)C1=CC(=C(C=C1)NC(=S)NC(=O)OC)NC(=S)NC(=O)OC

Isomeric SMILES

CCCCS(=O)C1=CC(=C(C=C1)NC(=S)NC(=O)OC)NC(=S)NC(=O)OC

InChI

InChI=1S/C16H22N4O5S3/c1-4-5-8-28(23)10-6-7-11(17-13(26)19-15(21)24-2)12(9-10)18-14(27)20-16(22)25-3/h6-7,9H,4-5,8H2,1-3H3,(H2,17,19,21,26)(H2,18,20,22,27)