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

Systemtic Name: methyl 5-benzamido-3-[(3,4-dichlorophenyl)methyl]-2-sulfanylidene-1H-imidazole-4-carboxylate Openeye Name: methyl 5-benzamido-3-[(3,4-dichlorophenyl)methyl]-2-thioxo-1H-imidazole-4-carboxylate CAS Name: 5-benzamido-3-[(3,4-dichlorophenyl)methyl]-2-sulfanylidene-1H-imidazole-4-carboxylic acid methyl ester IUPAC Name: methyl 5-benzamido-3-[(3,4-dichlorophenyl)methyl]-2-sulfanylidene-1H-imidazole-4-carboxylate Traditional Name: 5-benzamido-3-(3,4-dichlorobenzyl)-2-thioxo-4-imidazoline-4-carboxylic acid methyl ester Formula: C19H15Cl2N3O3S MolecularWeight: 436.3117

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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)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C19H15Cl2N3O3S/c1-27-18(26)15-16(22-17(25)12-5-3-2-4-6-12)23-19(28)24(15)10-11-7-8-13(20)14(21)9-11/h2-9H,10H2,1H3,(H,22,25)(H,23,28)