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

Systemtic Name: methyl N-[[6-(methoxycarbonylcarbamothioylamino)-2-propyl-1H-benzimidazol-5-yl]carbamothioyl]carbamate Openeye Name: methyl N-[[6-(methoxycarbonylcarbamothioylamino)-2-propyl-1H-benzimidazol-5-yl]carbamothioyl]carbamate CAS Name: N-[[[6-[[(methoxycarbonylamino)-sulfanylidenemethyl]amino]-2-propyl-1H-benzimidazol-5-yl]amino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[6-(methoxycarbonylcarbamothioylamino)-2-propyl-1H-benzimidazol-5-yl]carbamothioyl]carbamate Traditional Name: N-[[6-(carbomethoxythiocarbamoylamino)-2-propyl-1H-benzimidazol-5-yl]thiocarbamoyl]carbamic acid methyl ester Formula: C16H20N6O4S2 MolecularWeight: 424.4978

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=CC(=C(C=C2N1)NC(=S)NC(=O)OC)NC(=S)NC(=O)OC

Isomeric SMILES

CCCC1=NC2=CC(=C(C=C2N1)NC(=S)NC(=O)OC)NC(=S)NC(=O)OC

InChI

InChI=1S/C16H20N6O4S2/c1-4-5-12-17-8-6-10(19-13(27)21-15(23)25-2)11(7-9(8)18-12)20-14(28)22-16(24)26-3/h6-7H,4-5H2,1-3H3,(H,17,18)(H2,19,21,23,27)(H2,20,22,24,28)