methyl 3-[[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]carbonylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[4-[(2,4-dichlorophenyl)methyl]piperazine-1-carbonyl]amino]thiophene-2-carboxylate CAS Name: 3-[[[4-[(2,4-dichlorophenyl)methyl]-1-piperazinyl]-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[4-[(2,4-dichlorophenyl)methyl]piperazine-1-carbonyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[4-(2,4-dichlorobenzyl)piperazine-1-carbonyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C18H19Cl2N3O3S MolecularWeight: 428.33276

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)N2CCN(CC2)CC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)N2CCN(CC2)CC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C18H19Cl2N3O3S/c1-26-17(24)16-15(4-9-27-16)21-18(25)23-7-5-22(6-8-23)11-12-2-3-13(19)10-14(12)20/h2-4,9-10H,5-8,11H2,1H3,(H,21,25)