2-(4-nitrophenyl)sulfanyl-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]propanamide

Systemtic Name: 2-(4-nitrophenyl)sulfanyl-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]propanamide Openeye Name: 2-(4-nitrophenyl)sulfanyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]propanamide CAS Name: 2-[(4-nitrophenyl)thio]-N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]propanamide IUPAC Name: 2-(4-nitrophenyl)sulfanyl-N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]propanamide Traditional Name: N-[6-(3-ketopiperazino)-3-pyridyl]-2-[(4-nitrophenyl)thio]propionamide Formula: C18H19N5O4S MolecularWeight: 401.43956

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CN=C(C=C1)N2CCNC(=O)C2)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=CN=C(C=C1)N2CCNC(=O)C2)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N5O4S/c1-12(28-15-5-3-14(4-6-15)23(26)27)18(25)21-13-2-7-16(20-10-13)22-9-8-19-17(24)11-22/h2-7,10,12H,8-9,11H2,1H3,(H,19,24)(H,21,25)