ethyl 2-[(phenylmethyl)carbamothioylamino]-4,5,6,7-tetrahydrobenzimidazole-1-carboxylate

Systemtic Name: ethyl 2-[(phenylmethyl)carbamothioylamino]-4,5,6,7-tetrahydrobenzimidazole-1-carboxylate Openeye Name: ethyl 2-(benzylcarbamothioylamino)-4,5,6,7-tetrahydrobenzimidazole-1-carboxylate CAS Name: 2-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydrobenzimidazole-1-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(benzylcarbamothioylamino)-4,5,6,7-tetrahydrobenzimidazole-1-carboxylate Traditional Name: 2-(benzylthiocarbamoylamino)-4,5,6,7-tetrahydrobenzimidazole-1-carboxylic acid ethyl ester Formula: C18H22N4O2S MolecularWeight: 358.45788

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C2=C(CCCC2)N=C1NC(=S)NCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1C2=C(CCCC2)N=C1NC(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C18H22N4O2S/c1-2-24-18(23)22-15-11-7-6-10-14(15)20-16(22)21-17(25)19-12-13-8-4-3-5-9-13/h3-5,8-9H,2,6-7,10-12H2,1H3,(H2,19,20,21,25)