3-[[4-[4-(2-chlorophenyl)piperazin-1-yl]-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]-N-propan-2-yl-benzamide

Systemtic Name: 3-[[4-[4-(2-chlorophenyl)piperazin-1-yl]-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]-N-propan-2-yl-benzamide Openeye Name: 3-[[4-[4-(2-chlorophenyl)piperazin-1-yl]-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]-N-isopropyl-benzamide CAS Name: 3-[[[4-[4-(2-chlorophenyl)-1-piperazinyl]-6-ethyl-2-pyrimidinyl]thio]methyl]-N-propan-2-ylbenzamide IUPAC Name: 3-[[4-[4-(2-chlorophenyl)piperazin-1-yl]-6-ethylpyrimidin-2-yl]sulfanylmethyl]-N-propan-2-ylbenzamide Traditional Name: 3-[[[4-[4-(2-chlorophenyl)piperazino]-6-ethyl-pyrimidin-2-yl]thio]methyl]-N-isopropyl-benzamide Formula: C27H32ClN5OS MolecularWeight: 510.09388

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NC(C)C)N3CCN(CC3)C4=CC=CC=C4Cl

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NC(C)C)N3CCN(CC3)C4=CC=CC=C4Cl

InChI

InChI=1S/C27H32ClN5OS/c1-4-22-17-25(33-14-12-32(13-15-33)24-11-6-5-10-23(24)28)31-27(30-22)35-18-20-8-7-9-21(16-20)26(34)29-19(2)3/h5-11,16-17,19H,4,12-15,18H2,1-3H3,(H,29,34)