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

Systemtic Name: methyl 3-[(3,4-dichlorophenyl)methyl]-5-[(4-methylpiperazin-1-yl)carbonylamino]-2-sulfanylidene-1H-imidazole-4-carboxylate Openeye Name: methyl 3-[(3,4-dichlorophenyl)methyl]-5-[(4-methylpiperazine-1-carbonyl)amino]-2-thioxo-1H-imidazole-4-carboxylate CAS Name: 3-[(3,4-dichlorophenyl)methyl]-5-[[(4-methyl-1-piperazinyl)-oxomethyl]amino]-2-sulfanylidene-1H-imidazole-4-carboxylic acid methyl ester IUPAC Name: methyl 3-[(3,4-dichlorophenyl)methyl]-5-[(4-methylpiperazine-1-carbonyl)amino]-2-sulfanylidene-1H-imidazole-4-carboxylate Traditional Name: 3-(3,4-dichlorobenzyl)-5-[(4-methylpiperazine-1-carbonyl)amino]-2-thioxo-4-imidazoline-4-carboxylic acid methyl ester Formula: C18H21Cl2N5O3S MolecularWeight: 458.36204

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)NC2=C(N(C(=S)N2)CC3=CC(=C(C=C3)Cl)Cl)C(=O)OC

Isomeric SMILES

CN1CCN(CC1)C(=O)NC2=C(N(C(=S)N2)CC3=CC(=C(C=C3)Cl)Cl)C(=O)OC

InChI

InChI=1S/C18H21Cl2N5O3S/c1-23-5-7-24(8-6-23)17(27)21-15-14(16(26)28-2)25(18(29)22-15)10-11-3-4-12(19)13(20)9-11/h3-4,9H,5-8,10H2,1-2H3,(H,21,27)(H,22,29)