methyl 2-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]carbonylamino]thiophene-3-carboxylate

Systemtic Name: methyl 2-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]carbonylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbonyl]amino]thiophene-3-carboxylate CAS Name: 2-[[[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-oxomethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbonyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C18H20ClN3O3S MolecularWeight: 393.8877

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)NC3=C(C=CS3)C(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)NC3=C(C=CS3)C(=O)OC

InChI

InChI=1S/C18H20ClN3O3S/c1-12-3-4-13(19)11-15(12)21-6-8-22(9-7-21)18(24)20-16-14(5-10-26-16)17(23)25-2/h3-5,10-11H,6-9H2,1-2H3,(H,20,24)