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

Systemtic Name: 2-(4-nitrophenyl)sulfanyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide Openeye Name: 2-(4-nitrophenyl)sulfanyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide CAS Name: 2-[(4-nitrophenyl)thio]-N-[2-(4-phenyl-1-piperazinyl)ethyl]propanamide IUPAC Name: 2-(4-nitrophenyl)sulfanyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide Traditional Name: 2-[(4-nitrophenyl)thio]-N-[2-(4-phenylpiperazino)ethyl]propionamide Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCN1CCN(CC1)C2=CC=CC=C2)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NCCN1CCN(CC1)C2=CC=CC=C2)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O3S/c1-17(29-20-9-7-19(8-10-20)25(27)28)21(26)22-11-12-23-13-15-24(16-14-23)18-5-3-2-4-6-18/h2-10,17H,11-16H2,1H3,(H,22,26)