N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]pentanamide

Systemtic Name: N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]pentanamide Openeye Name: N-[[4-(4-pyridylmethyl)phenyl]carbamothioyl]pentanamide CAS Name: N-[[4-(pyridin-4-ylmethyl)anilino]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]pentanamide Traditional Name: N-[[4-(4-pyridylmethyl)phenyl]thiocarbamoyl]valeramide Formula: C18H21N3OS MolecularWeight: 327.44384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=S)NC1=CC=C(C=C1)CC2=CC=NC=C2

Isomeric SMILES

CCCCC(=O)NC(=S)NC1=CC=C(C=C1)CC2=CC=NC=C2

InChI

InChI=1S/C18H21N3OS/c1-2-3-4-17(22)21-18(23)20-16-7-5-14(6-8-16)13-15-9-11-19-12-10-15/h5-12H,2-4,13H2,1H3,(H2,20,21,22,23)