ethyl 2-(phenylcarbamothioylamino)-4,5,6,7-tetrahydrobenzimidazole-1-carboxylate

Systemtic Name: ethyl 2-(phenylcarbamothioylamino)-4,5,6,7-tetrahydrobenzimidazole-1-carboxylate Openeye Name: ethyl 2-(phenylcarbamothioylamino)-4,5,6,7-tetrahydrobenzimidazole-1-carboxylate CAS Name: 2-[[anilino(sulfanylidene)methyl]amino]-4,5,6,7-tetrahydrobenzimidazole-1-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(phenylcarbamothioylamino)-4,5,6,7-tetrahydrobenzimidazole-1-carboxylate Traditional Name: 2-(phenylthiocarbamoylamino)-4,5,6,7-tetrahydrobenzimidazole-1-carboxylic acid ethyl ester Formula: C17H20N4O2S MolecularWeight: 344.4313

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C2=C(CCCC2)N=C1NC(=S)NC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1C2=C(CCCC2)N=C1NC(=S)NC3=CC=CC=C3

InChI

InChI=1S/C17H20N4O2S/c1-2-23-17(22)21-14-11-7-6-10-13(14)19-15(21)20-16(24)18-12-8-4-3-5-9-12/h3-5,8-9H,2,6-7,10-11H2,1H3,(H2,18,19,20,24)