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

Systemtic Name: ethyl 4-[4-[[4-chloranyl-6-[4-(2-chlorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]phenyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[[4-chloro-6-[4-(2-chlorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]benzoyl]piperazine-1-carboxylate CAS Name: 4-[[4-[[[4-chloro-6-[4-(2-chlorophenyl)-1-piperazinyl]-2-pyrimidinyl]thio]methyl]phenyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[[4-chloro-6-[4-(2-chlorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]benzoyl]piperazine-1-carboxylate Traditional Name: 4-[4-[[[4-chloro-6-[4-(2-chlorophenyl)piperazino]pyrimidin-2-yl]thio]methyl]benzoyl]piperazine-1-carboxylic acid ethyl ester Formula: C29H32Cl2N6O3S MolecularWeight: 615.57378

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)CSC3=NC(=CC(=N3)Cl)N4CCN(CC4)C5=CC=CC=C5Cl

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)CSC3=NC(=CC(=N3)Cl)N4CCN(CC4)C5=CC=CC=C5Cl

InChI

InChI=1S/C29H32Cl2N6O3S/c1-2-40-29(39)37-17-15-36(16-18-37)27(38)22-9-7-21(8-10-22)20-41-28-32-25(31)19-26(33-28)35-13-11-34(12-14-35)24-6-4-3-5-23(24)30/h3-10,19H,2,11-18,20H2,1H3