N-[(E)-(3-nitro-4-quinolin-5-ylsulfanyl-phenyl)methylideneamino]pentanamide

Systemtic Name: N-[(E)-(3-nitro-4-quinolin-5-ylsulfanyl-phenyl)methylideneamino]pentanamide Openeye Name: N-[(E)-[3-nitro-4-(5-quinolylsulfanyl)phenyl]methyleneamino]pentanamide CAS Name: N-[(E)-[3-nitro-4-(5-quinolinylthio)phenyl]methylideneamino]pentanamide IUPAC Name: N-[(E)-(3-nitro-4-quinolin-5-ylsulfanylphenyl)methylideneamino]pentanamide Traditional Name: N-[(E)-[3-nitro-4-(5-quinolylthio)benzylidene]amino]valeramide Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NN=CC1=CC(=C(C=C1)SC2=CC=CC3=C2C=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CCCCC(=O)N/N=C/C1=CC(=C(C=C1)SC2=CC=CC3=C2C=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O3S/c1-2-3-9-21(26)24-23-14-15-10-11-20(18(13-15)25(27)28)29-19-8-4-7-17-16(19)6-5-12-22-17/h4-8,10-14H,2-3,9H2,1H3,(H,24,26)/b23-14+