4-butoxy-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 4-butoxy-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]benzamide Openeye Name: 4-butoxy-N-[[4-(4-pyridylmethyl)phenyl]carbamothioyl]benzamide CAS Name: 4-butoxy-N-[[4-(pyridin-4-ylmethyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-butoxy-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]benzamide Traditional Name: 4-butoxy-N-[[4-(4-pyridylmethyl)phenyl]thiocarbamoyl]benzamide Formula: C24H25N3O2S MolecularWeight: 419.5392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)CC3=CC=NC=C3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)CC3=CC=NC=C3

InChI

InChI=1S/C24H25N3O2S/c1-2-3-16-29-22-10-6-20(7-11-22)23(28)27-24(30)26-21-8-4-18(5-9-21)17-19-12-14-25-15-13-19/h4-15H,2-3,16-17H2,1H3,(H2,26,27,28,30)