methyl N-[[4-aminocarbonylsulfanyl-2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate

Systemtic Name: methyl N-[[4-aminocarbonylsulfanyl-2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate Openeye Name: methyl N-[[4-carbamoylsulfanyl-2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate CAS Name: N-[[4-(carbamoylthio)-2-[[(methoxycarbonylamino)-sulfanylidenemethyl]amino]anilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[4-carbamoylsulfanyl-2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate Traditional Name: N-[[4-(carbamoylthio)-2-(carbomethoxythiocarbamoylamino)phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C13H15N5O5S3 MolecularWeight: 417.4837

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N5O5S3/c1-22-12(20)17-10(24)15-7-4-3-6(26-9(14)19)5-8(7)16-11(25)18-13(21)23-2/h3-5H,1-2H3,(H2,14,19)(H2,15,17,20,24)(H2,16,18,21,25)