2-(4-nitrophenyl)sulfanyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]propanamide

Systemtic Name: 2-(4-nitrophenyl)sulfanyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]propanamide Openeye Name: 2-(4-nitrophenyl)sulfanyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]propanamide CAS Name: 2-[(4-nitrophenyl)thio]-N-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]propanamide IUPAC Name: 2-(4-nitrophenyl)sulfanyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]propanamide Traditional Name: 2-[(4-nitrophenyl)thio]-N-[3-[4-(2-pyrimidyl)piperazino]propyl]propionamide Formula: C20H26N6O3S MolecularWeight: 430.52384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCCN1CCN(CC1)C2=NC=CC=N2)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NCCCN1CCN(CC1)C2=NC=CC=N2)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H26N6O3S/c1-16(30-18-6-4-17(5-7-18)26(28)29)19(27)21-10-3-11-24-12-14-25(15-13-24)20-22-8-2-9-23-20/h2,4-9,16H,3,10-15H2,1H3,(H,21,27)