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

Systemtic Name: methyl N-[[4-butylsulfonyl-2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate Openeye Name: methyl N-[[4-butylsulfonyl-2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate CAS Name: N-[[4-butylsulfonyl-2-[[(methoxycarbonylamino)-sulfanylidenemethyl]amino]anilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[4-butylsulfonyl-2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate Traditional Name: N-[[4-butylsulfonyl-2-(carbomethoxythiocarbamoylamino)phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C16H22N4O6S3 MolecularWeight: 462.56408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O6S3/c1-4-5-8-29(23,24)10-6-7-11(17-13(27)19-15(21)25-2)12(9-10)18-14(28)20-16(22)26-3/h6-7,9H,4-5,8H2,1-3H3,(H2,17,19,21,27)(H2,18,20,22,28)