methyl N-[[2-(methoxycarbonylcarbamothioylamino)-5-phenylsulfanyl-pyridin-3-yl]carbamothioyl]carbamate

Systemtic Name: methyl N-[[2-(methoxycarbonylcarbamothioylamino)-5-phenylsulfanyl-pyridin-3-yl]carbamothioyl]carbamate Openeye Name: methyl N-[[2-(methoxycarbonylcarbamothioylamino)-5-phenylsulfanyl-3-pyridyl]carbamothioyl]carbamate CAS Name: N-[[[2-[[(methoxycarbonylamino)-sulfanylidenemethyl]amino]-5-(phenylthio)-3-pyridinyl]amino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[2-(methoxycarbonylcarbamothioylamino)-5-phenylsulfanylpyridin-3-yl]carbamothioyl]carbamate Traditional Name: N-[[2-(carbomethoxythiocarbamoylamino)-5-(phenylthio)-3-pyridyl]thiocarbamoyl]carbamic acid methyl ester Formula: C17H17N5O4S3 MolecularWeight: 451.54298

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC(=S)NC1=CC(=CN=C1NC(=S)NC(=O)OC)SC2=CC=CC=C2

Isomeric SMILES

COC(=O)NC(=S)NC1=CC(=CN=C1NC(=S)NC(=O)OC)SC2=CC=CC=C2

InChI

InChI=1S/C17H17N5O4S3/c1-25-16(23)21-14(27)19-12-8-11(29-10-6-4-3-5-7-10)9-18-13(12)20-15(28)22-17(24)26-2/h3-9H,1-2H3,(H2,19,21,23,27)(H2,18,20,22,24,28)