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

Systemtic Name: methyl N-[[2-(methoxycarbonylcarbamothioylamino)-5-(phenylcarbonyl)pyridin-3-yl]carbamothioyl]carbamate Openeye Name: methyl N-[[5-benzoyl-2-(methoxycarbonylcarbamothioylamino)-3-pyridyl]carbamothioyl]carbamate CAS Name: N-[[[5-benzoyl-2-[[(methoxycarbonylamino)-sulfanylidenemethyl]amino]-3-pyridinyl]amino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[5-benzoyl-2-(methoxycarbonylcarbamothioylamino)pyridin-3-yl]carbamothioyl]carbamate Traditional Name: N-[[5-benzoyl-2-(carbomethoxythiocarbamoylamino)-3-pyridyl]thiocarbamoyl]carbamic acid methyl ester Formula: C18H17N5O5S2 MolecularWeight: 447.48808

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC(=S)NC1=C(N=CC(=C1)C(=O)C2=CC=CC=C2)NC(=S)NC(=O)OC

Isomeric SMILES

COC(=O)NC(=S)NC1=C(N=CC(=C1)C(=O)C2=CC=CC=C2)NC(=S)NC(=O)OC

InChI

InChI=1S/C18H17N5O5S2/c1-27-17(25)22-15(29)20-12-8-11(13(24)10-6-4-3-5-7-10)9-19-14(12)21-16(30)23-18(26)28-2/h3-9H,1-2H3,(H2,20,22,25,29)(H2,19,21,23,26,30)