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

Systemtic Name: ethyl N-[[6-(ethoxycarbonylcarbamothioylamino)-1H-benzimidazol-5-yl]carbamothioyl]carbamate Openeye Name: ethyl N-[[6-(ethoxycarbonylcarbamothioylamino)-1H-benzimidazol-5-yl]carbamothioyl]carbamate CAS Name: N-[[[6-[[(ethoxycarbonylamino)-sulfanylidenemethyl]amino]-1H-benzimidazol-5-yl]amino]-sulfanylidenemethyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[[6-(ethoxycarbonylcarbamothioylamino)-1H-benzimidazol-5-yl]carbamothioyl]carbamate Traditional Name: N-[[6-(carbethoxythiocarbamoylamino)-1H-benzimidazol-5-yl]thiocarbamoyl]carbamic acid ethyl ester Formula: C15H18N6O4S2 MolecularWeight: 410.47122

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=S)NC1=C(C=C2C(=C1)NC=N2)NC(=S)NC(=O)OCC

Isomeric SMILES

CCOC(=O)NC(=S)NC1=C(C=C2C(=C1)NC=N2)NC(=S)NC(=O)OCC

InChI

InChI=1S/C15H18N6O4S2/c1-3-24-14(22)20-12(26)18-10-5-8-9(17-7-16-8)6-11(10)19-13(27)21-15(23)25-4-2/h5-7H,3-4H2,1-2H3,(H,16,17)(H2,18,20,22,26)(H2,19,21,23,27)