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

Systemtic Name: 2-(4-nitrophenyl)sulfanyl-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide Openeye Name: 2-(4-nitrophenyl)sulfanyl-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide CAS Name: 2-[(4-nitrophenyl)thio]-N-[3-(4-phenyl-1-piperazinyl)propyl]propanamide IUPAC Name: 2-(4-nitrophenyl)sulfanyl-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide Traditional Name: 2-[(4-nitrophenyl)thio]-N-[3-(4-phenylpiperazino)propyl]propionamide Formula: C22H28N4O3S MolecularWeight: 428.54772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O3S/c1-18(30-21-10-8-20(9-11-21)26(28)29)22(27)23-12-5-13-24-14-16-25(17-15-24)19-6-3-2-4-7-19/h2-4,6-11,18H,5,12-17H2,1H3,(H,23,27)