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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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