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

Systemtic Name: methyl N-[[2-(methoxycarbonylcarbamothioylamino)-5-propylsulfanyl-pyridin-3-yl]carbamothioyl]carbamate Openeye Name: methyl N-[[2-(methoxycarbonylcarbamothioylamino)-5-propylsulfanyl-3-pyridyl]carbamothioyl]carbamate CAS Name: N-[[[2-[[(methoxycarbonylamino)-sulfanylidenemethyl]amino]-5-(propylthio)-3-pyridinyl]amino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[2-(methoxycarbonylcarbamothioylamino)-5-propylsulfanylpyridin-3-yl]carbamothioyl]carbamate Traditional Name: N-[[2-(carbomethoxythiocarbamoylamino)-5-(propylthio)-3-pyridyl]thiocarbamoyl]carbamic acid methyl ester Formula: C14H19N5O4S3 MolecularWeight: 417.52676

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CN=C(C(=C1)NC(=S)NC(=O)OC)NC(=S)NC(=O)OC

Isomeric SMILES

CCCSC1=CN=C(C(=C1)NC(=S)NC(=O)OC)NC(=S)NC(=O)OC

InChI

InChI=1S/C14H19N5O4S3/c1-4-5-26-8-6-9(16-11(24)18-13(20)22-2)10(15-7-8)17-12(25)19-14(21)23-3/h6-7H,4-5H2,1-3H3,(H2,16,18,20,24)(H2,15,17,19,21,25)