ethyl 5,6-bis(ethoxycarbonylcarbamothioylamino)-2-methyl-benzimidazole-1-carboxylate

Systemtic Name: ethyl 5,6-bis(ethoxycarbonylcarbamothioylamino)-2-methyl-benzimidazole-1-carboxylate Openeye Name: ethyl 5,6-bis(ethoxycarbonylcarbamothioylamino)-2-methyl-benzimidazole-1-carboxylate CAS Name: 5,6-bis[[(ethoxycarbonylamino)-sulfanylidenemethyl]amino]-2-methyl-1-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5,6-bis(ethoxycarbonylcarbamothioylamino)-2-methylbenzimidazole-1-carboxylate Traditional Name: 5,6-bis(carbethoxythiocarbamoylamino)-2-methyl-benzimidazole-1-carboxylic acid ethyl ester Formula: C19H24N6O6S2 MolecularWeight: 496.56046

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=S)NC1=C(C=C2C(=C1)N=C(N2C(=O)OCC)C)NC(=S)NC(=O)OCC

Isomeric SMILES

CCOC(=O)NC(=S)NC1=C(C=C2C(=C1)N=C(N2C(=O)OCC)C)NC(=S)NC(=O)OCC

InChI

InChI=1S/C19H24N6O6S2/c1-5-29-17(26)23-15(32)21-11-8-13-14(25(10(4)20-13)19(28)31-7-3)9-12(11)22-16(33)24-18(27)30-6-2/h8-9H,5-7H2,1-4H3,(H2,21,23,26,32)(H2,22,24,27,33)