4-[[4-chloranyl-6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N,N-dipropyl-benzamide

Systemtic Name: 4-[[4-chloranyl-6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N,N-dipropyl-benzamide Openeye Name: 4-[[4-chloro-6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N,N-dipropyl-benzamide CAS Name: 4-[[[4-chloro-6-[4-(3-chlorophenyl)-1-piperazinyl]-2-pyrimidinyl]thio]methyl]-N,N-dipropylbenzamide IUPAC Name: 4-[[4-chloro-6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N,N-dipropylbenzamide Traditional Name: 4-[[[4-chloro-6-[4-(3-chlorophenyl)piperazino]pyrimidin-2-yl]thio]methyl]-N,N-dipropyl-benzamide Formula: C28H33Cl2N5OS MolecularWeight: 558.56552

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=O)C1=CC=C(C=C1)CSC2=NC(=CC(=N2)Cl)N3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CCCN(CCC)C(=O)C1=CC=C(C=C1)CSC2=NC(=CC(=N2)Cl)N3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C28H33Cl2N5OS/c1-3-12-35(13-4-2)27(36)22-10-8-21(9-11-22)20-37-28-31-25(30)19-26(32-28)34-16-14-33(15-17-34)24-7-5-6-23(29)18-24/h5-11,18-19H,3-4,12-17,20H2,1-2H3