N-butyl-3-[[4-chloranyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]benzamide

Systemtic Name: N-butyl-3-[[4-chloranyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]benzamide Openeye Name: N-butyl-3-[[4-chloro-6-[4-[(E)-cinnamyl]piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]benzamide CAS Name: N-butyl-3-[[[4-chloro-6-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]-2-pyrimidinyl]thio]methyl]benzamide IUPAC Name: N-butyl-3-[[4-chloro-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]benzamide Traditional Name: N-butyl-3-[[[4-chloro-6-[4-[(E)-cinnamyl]piperazino]pyrimidin-2-yl]thio]methyl]benzamide Formula: C29H34ClN5OS MolecularWeight: 536.13116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC(=CC=C1)CSC2=NC(=CC(=N2)Cl)N3CCN(CC3)CC=CC4=CC=CC=C4

Isomeric SMILES

CCCCNC(=O)C1=CC(=CC=C1)CSC2=NC(=CC(=N2)Cl)N3CCN(CC3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C29H34ClN5OS/c1-2-3-14-31-28(36)25-13-7-11-24(20-25)22-37-29-32-26(30)21-27(33-29)35-18-16-34(17-19-35)15-8-12-23-9-5-4-6-10-23/h4-13,20-21H,2-3,14-19,22H2,1H3,(H,31,36)/b12-8+