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

Systemtic Name: methyl 2-[2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]ethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]acetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]acetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-[4-(5-chloro-2-methyl-phenyl)piperazino]acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C25H26ClN3O3S MolecularWeight: 484.01024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)CC(=O)NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)CC(=O)NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C25H26ClN3O3S/c1-17-8-9-19(26)14-21(17)29-12-10-28(11-13-29)15-22(30)27-24-23(25(31)32-2)20(16-33-24)18-6-4-3-5-7-18/h3-9,14,16H,10-13,15H2,1-2H3,(H,27,30)