methyl N-[[6-(methoxycarbonylcarbamothioylamino)-2-methyl-1H-benzimidazol-5-yl]carbamothioyl]carbamate

Systemtic Name: methyl N-[[6-(methoxycarbonylcarbamothioylamino)-2-methyl-1H-benzimidazol-5-yl]carbamothioyl]carbamate Openeye Name: methyl N-[[6-(methoxycarbonylcarbamothioylamino)-2-methyl-1H-benzimidazol-5-yl]carbamothioyl]carbamate CAS Name: N-[[[6-[[(methoxycarbonylamino)-sulfanylidenemethyl]amino]-2-methyl-1H-benzimidazol-5-yl]amino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[6-(methoxycarbonylcarbamothioylamino)-2-methyl-1H-benzimidazol-5-yl]carbamothioyl]carbamate Traditional Name: N-[[6-(carbomethoxythiocarbamoylamino)-2-methyl-1H-benzimidazol-5-yl]thiocarbamoyl]carbamic acid methyl ester Formula: C14H16N6O4S2 MolecularWeight: 396.44464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC(=C(C=C2N1)NC(=S)NC(=O)OC)NC(=S)NC(=O)OC

Isomeric SMILES

CC1=NC2=CC(=C(C=C2N1)NC(=S)NC(=O)OC)NC(=S)NC(=O)OC

InChI

InChI=1S/C14H16N6O4S2/c1-6-15-7-4-9(17-11(25)19-13(21)23-2)10(5-8(7)16-6)18-12(26)20-14(22)24-3/h4-5H,1-3H3,(H,15,16)(H2,17,19,21,25)(H2,18,20,22,26)