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

Systemtic Name: methyl 3-[(3,4-dichlorophenyl)methyl]-5-(propanoylamino)-2-sulfanylidene-1H-imidazole-4-carboxylate Openeye Name: methyl 3-[(3,4-dichlorophenyl)methyl]-5-(propanoylamino)-2-thioxo-1H-imidazole-4-carboxylate CAS Name: 3-[(3,4-dichlorophenyl)methyl]-5-(1-oxopropylamino)-2-sulfanylidene-1H-imidazole-4-carboxylic acid methyl ester IUPAC Name: methyl 3-[(3,4-dichlorophenyl)methyl]-5-(propanoylamino)-2-sulfanylidene-1H-imidazole-4-carboxylate Traditional Name: 3-(3,4-dichlorobenzyl)-5-propionamido-2-thioxo-4-imidazoline-4-carboxylic acid methyl ester Formula: C15H15Cl2N3O3S MolecularWeight: 388.2689

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(N(C(=S)N1)CC2=CC(=C(C=C2)Cl)Cl)C(=O)OC

Isomeric SMILES

CCC(=O)NC1=C(N(C(=S)N1)CC2=CC(=C(C=C2)Cl)Cl)C(=O)OC

InChI

InChI=1S/C15H15Cl2N3O3S/c1-3-11(21)18-13-12(14(22)23-2)20(15(24)19-13)7-8-4-5-9(16)10(17)6-8/h4-6H,3,7H2,1-2H3,(H,18,21)(H,19,24)