ethyl N-[[6-(ethoxycarbonylcarbamothioylamino)-2-ethyl-1H-benzimidazol-5-yl]carbamothioyl]carbamate

Systemtic Name: ethyl N-[[6-(ethoxycarbonylcarbamothioylamino)-2-ethyl-1H-benzimidazol-5-yl]carbamothioyl]carbamate Openeye Name: ethyl N-[[6-(ethoxycarbonylcarbamothioylamino)-2-ethyl-1H-benzimidazol-5-yl]carbamothioyl]carbamate CAS Name: N-[[[6-[[(ethoxycarbonylamino)-sulfanylidenemethyl]amino]-2-ethyl-1H-benzimidazol-5-yl]amino]-sulfanylidenemethyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[[6-(ethoxycarbonylcarbamothioylamino)-2-ethyl-1H-benzimidazol-5-yl]carbamothioyl]carbamate Traditional Name: N-[[6-(carbethoxythiocarbamoylamino)-2-ethyl-1H-benzimidazol-5-yl]thiocarbamoyl]carbamic acid ethyl ester Formula: C17H22N6O4S2 MolecularWeight: 438.52438

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC(=C(C=C2N1)NC(=S)NC(=O)OCC)NC(=S)NC(=O)OCC

Isomeric SMILES

CCC1=NC2=CC(=C(C=C2N1)NC(=S)NC(=O)OCC)NC(=S)NC(=O)OCC

InChI

InChI=1S/C17H22N6O4S2/c1-4-13-18-9-7-11(20-14(28)22-16(24)26-5-2)12(8-10(9)19-13)21-15(29)23-17(25)27-6-3/h7-8H,4-6H2,1-3H3,(H,18,19)(H2,20,22,24,28)(H2,21,23,25,29)