methyl 3-[(3,4-dichlorophenyl)methyl]-5-[(phenylmethyl)carbamoylamino]-2-sulfanylidene-1H-imidazole-4-carboxylate

Systemtic Name: methyl 3-[(3,4-dichlorophenyl)methyl]-5-[(phenylmethyl)carbamoylamino]-2-sulfanylidene-1H-imidazole-4-carboxylate Openeye Name: methyl 5-(benzylcarbamoylamino)-3-[(3,4-dichlorophenyl)methyl]-2-thioxo-1H-imidazole-4-carboxylate CAS Name: 3-[(3,4-dichlorophenyl)methyl]-5-[[oxo-[(phenylmethyl)amino]methyl]amino]-2-sulfanylidene-1H-imidazole-4-carboxylic acid methyl ester IUPAC Name: methyl 5-(benzylcarbamoylamino)-3-[(3,4-dichlorophenyl)methyl]-2-sulfanylidene-1H-imidazole-4-carboxylate Traditional Name: 5-(benzylcarbamoylamino)-3-(3,4-dichlorobenzyl)-2-thioxo-4-imidazoline-4-carboxylic acid methyl ester Formula: C20H18Cl2N4O3S MolecularWeight: 465.35292

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(NC(=S)N1CC2=CC(=C(C=C2)Cl)Cl)NC(=O)NCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(NC(=S)N1CC2=CC(=C(C=C2)Cl)Cl)NC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C20H18Cl2N4O3S/c1-29-18(27)16-17(24-19(28)23-10-12-5-3-2-4-6-12)25-20(30)26(16)11-13-7-8-14(21)15(22)9-13/h2-9H,10-11H2,1H3,(H,25,30)(H2,23,24,28)