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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O5S3/c1-9(2)8-28(23)10-5-6-11(17-13(26)19-15(21)24-3)12(7-10)18-14(27)20-16(22)25-4/h5-7,9H,8H2,1-4H3,(H2,17,19,21,26)(H2,18,20,22,27)