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

Systemtic Name: methyl N-[[4-acetamido-2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate Openeye Name: methyl N-[[4-acetamido-2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate CAS Name: N-[[4-acetamido-2-[[(methoxycarbonylamino)-sulfanylidenemethyl]amino]anilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[4-acetamido-2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate Traditional Name: N-[[4-acetamido-2-(carbomethoxythiocarbamoylamino)phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C14H17N5O5S2 MolecularWeight: 399.44528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N5O5S2/c1-7(20)15-8-4-5-9(16-11(25)18-13(21)23-2)10(6-8)17-12(26)19-14(22)24-3/h4-6H,1-3H3,(H,15,20)(H2,16,18,21,25)(H2,17,19,22,26)