methyl N-[3,4-bis(methoxycarbonylcarbamothioylamino)phenyl]carbamate

Systemtic Name: methyl N-[3,4-bis(methoxycarbonylcarbamothioylamino)phenyl]carbamate Openeye Name: methyl N-[3,4-bis(methoxycarbonylcarbamothioylamino)phenyl]carbamate CAS Name: N-[3,4-bis[[(methoxycarbonylamino)-sulfanylidenemethyl]amino]phenyl]carbamic acid methyl ester IUPAC Name: methyl N-[3,4-bis(methoxycarbonylcarbamothioylamino)phenyl]carbamate Traditional Name: N-[3,4-bis(carbomethoxythiocarbamoylamino)phenyl]carbamic acid methyl ester Formula: C14H17N5O6S2 MolecularWeight: 415.44468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N5O6S2/c1-23-12(20)15-7-4-5-8(16-10(26)18-13(21)24-2)9(6-7)17-11(27)19-14(22)25-3/h4-6H,1-3H3,(H,15,20)(H2,16,18,21,26)(H2,17,19,22,27)