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

Systemtic Name: methyl 3-[(3,4-dichlorophenyl)methyl]-5-(morpholin-4-ylcarbonylamino)-2-sulfanylidene-1H-imidazole-4-carboxylate Openeye Name: methyl 3-[(3,4-dichlorophenyl)methyl]-5-(morpholine-4-carbonylamino)-2-thioxo-1H-imidazole-4-carboxylate CAS Name: 3-[(3,4-dichlorophenyl)methyl]-5-[[4-morpholinyl(oxo)methyl]amino]-2-sulfanylidene-1H-imidazole-4-carboxylic acid methyl ester IUPAC Name: methyl 3-[(3,4-dichlorophenyl)methyl]-5-(morpholine-4-carbonylamino)-2-sulfanylidene-1H-imidazole-4-carboxylate Traditional Name: 3-(3,4-dichlorobenzyl)-5-(morpholine-4-carbonylamino)-2-thioxo-4-imidazoline-4-carboxylic acid methyl ester Formula: C17H18Cl2N4O4S MolecularWeight: 445.32022

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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)N3CCOCC3

Isomeric SMILES

COC(=O)C1=C(NC(=S)N1CC2=CC(=C(C=C2)Cl)Cl)NC(=O)N3CCOCC3

InChI

InChI=1S/C17H18Cl2N4O4S/c1-26-15(24)13-14(20-16(25)22-4-6-27-7-5-22)21-17(28)23(13)9-10-2-3-11(18)12(19)8-10/h2-3,8H,4-7,9H2,1H3,(H,20,25)(H,21,28)