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

Systemtic Name: methyl N-[[2-(methoxycarbonylcarbamothioylamino)-4-pentylsulfinyl-phenyl]carbamothioyl]carbamate Openeye Name: methyl N-[[2-(methoxycarbonylcarbamothioylamino)-4-pentylsulfinyl-phenyl]carbamothioyl]carbamate CAS Name: N-[[2-[[(methoxycarbonylamino)-sulfanylidenemethyl]amino]-4-pentylsulfinylanilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[2-(methoxycarbonylcarbamothioylamino)-4-pentylsulfinylphenyl]carbamothioyl]carbamate Traditional Name: N-[[4-amylsulfinyl-2-(carbomethoxythiocarbamoylamino)phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C17H24N4O5S3 MolecularWeight: 460.59126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N4O5S3/c1-4-5-6-9-29(24)11-7-8-12(18-14(27)20-16(22)25-2)13(10-11)19-15(28)21-17(23)26-3/h7-8,10H,4-6,9H2,1-3H3,(H2,18,20,22,27)(H2,19,21,23,28)