methyl N-[[4-chloranyl-2-(methoxycarbonylcarbamothioylamino)-5-phenylsulfanyl-pyridin-3-yl]carbamothioyl]carbamate

Systemtic Name: methyl N-[[4-chloranyl-2-(methoxycarbonylcarbamothioylamino)-5-phenylsulfanyl-pyridin-3-yl]carbamothioyl]carbamate Openeye Name: methyl N-[[4-chloro-2-(methoxycarbonylcarbamothioylamino)-5-phenylsulfanyl-3-pyridyl]carbamothioyl]carbamate CAS Name: N-[[[4-chloro-2-[[(methoxycarbonylamino)-sulfanylidenemethyl]amino]-5-(phenylthio)-3-pyridinyl]amino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[4-chloro-2-(methoxycarbonylcarbamothioylamino)-5-phenylsulfanylpyridin-3-yl]carbamothioyl]carbamate Traditional Name: N-[[2-(carbomethoxythiocarbamoylamino)-4-chloro-5-(phenylthio)-3-pyridyl]thiocarbamoyl]carbamic acid methyl ester Formula: C17H16ClN5O4S3 MolecularWeight: 485.98804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClN5O4S3/c1-26-16(24)22-14(28)20-12-11(18)10(30-9-6-4-3-5-7-9)8-19-13(12)21-15(29)23-17(25)27-2/h3-8H,1-2H3,(H2,20,22,24,28)(H2,19,21,23,25,29)