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

Systemtic Name: methyl 3-[(3,4-dichlorophenyl)methyl]-5-(piperidin-1-ylcarbonylamino)-2-sulfanylidene-1H-imidazole-4-carboxylate Openeye Name: methyl 3-[(3,4-dichlorophenyl)methyl]-5-(piperidine-1-carbonylamino)-2-thioxo-1H-imidazole-4-carboxylate CAS Name: 3-[(3,4-dichlorophenyl)methyl]-5-[[oxo(1-piperidinyl)methyl]amino]-2-sulfanylidene-1H-imidazole-4-carboxylic acid methyl ester IUPAC Name: methyl 3-[(3,4-dichlorophenyl)methyl]-5-(piperidine-1-carbonylamino)-2-sulfanylidene-1H-imidazole-4-carboxylate Traditional Name: 3-(3,4-dichlorobenzyl)-5-(piperidine-1-carbonylamino)-2-thioxo-4-imidazoline-4-carboxylic acid methyl ester Formula: C18H20Cl2N4O3S MolecularWeight: 443.3474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(NC(=S)N1CC2=CC(=C(C=C2)Cl)Cl)NC(=O)N3CCCCC3

Isomeric SMILES

COC(=O)C1=C(NC(=S)N1CC2=CC(=C(C=C2)Cl)Cl)NC(=O)N3CCCCC3

InChI

InChI=1S/C18H20Cl2N4O3S/c1-27-16(25)14-15(21-17(26)23-7-3-2-4-8-23)22-18(28)24(14)10-11-5-6-12(19)13(20)9-11/h5-6,9H,2-4,7-8,10H2,1H3,(H,21,26)(H,22,28)