ethyl 1-[4-[[4-chloranyl-6-[4-(4-chlorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[4-[[4-chloranyl-6-[4-(4-chlorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]phenyl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[4-[[4-chloro-6-[4-(4-chlorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]benzoyl]piperidine-4-carboxylate CAS Name: 1-[[4-[[[4-chloro-6-[4-(4-chlorophenyl)-1-piperazinyl]-2-pyrimidinyl]thio]methyl]phenyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[[4-chloro-6-[4-(4-chlorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]benzoyl]piperidine-4-carboxylate Traditional Name: 1-[4-[[[4-chloro-6-[4-(4-chlorophenyl)piperazino]pyrimidin-2-yl]thio]methyl]benzoyl]isonipecotic acid ethyl ester Formula: C30H33Cl2N5O3S MolecularWeight: 614.58572

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)CSC3=NC(=CC(=N3)Cl)N4CCN(CC4)C5=CC=C(C=C5)Cl

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)CSC3=NC(=CC(=N3)Cl)N4CCN(CC4)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C30H33Cl2N5O3S/c1-2-40-29(39)23-11-13-37(14-12-23)28(38)22-5-3-21(4-6-22)20-41-30-33-26(32)19-27(34-30)36-17-15-35(16-18-36)25-9-7-24(31)8-10-25/h3-10,19,23H,2,11-18,20H2,1H3