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

Systemtic Name: methyl 3-[(3,4-dichlorophenyl)methyl]-5-(pyrrolidin-1-ylcarbonylamino)-2-sulfanylidene-1H-imidazole-4-carboxylate Openeye Name: methyl 3-[(3,4-dichlorophenyl)methyl]-5-(pyrrolidine-1-carbonylamino)-2-thioxo-1H-imidazole-4-carboxylate CAS Name: 3-[(3,4-dichlorophenyl)methyl]-5-[[oxo(1-pyrrolidinyl)methyl]amino]-2-sulfanylidene-1H-imidazole-4-carboxylic acid methyl ester IUPAC Name: methyl 3-[(3,4-dichlorophenyl)methyl]-5-(pyrrolidine-1-carbonylamino)-2-sulfanylidene-1H-imidazole-4-carboxylate Traditional Name: 3-(3,4-dichlorobenzyl)-5-(pyrrolidine-1-carbonylamino)-2-thioxo-4-imidazoline-4-carboxylic acid methyl ester Formula: C17H18Cl2N4O3S MolecularWeight: 429.32082

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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)N3CCCC3

Isomeric SMILES

COC(=O)C1=C(NC(=S)N1CC2=CC(=C(C=C2)Cl)Cl)NC(=O)N3CCCC3

InChI

InChI=1S/C17H18Cl2N4O3S/c1-26-15(24)13-14(20-16(25)22-6-2-3-7-22)21-17(27)23(13)9-10-4-5-11(18)12(19)8-10/h4-5,8H,2-3,6-7,9H2,1H3,(H,20,25)(H,21,27)