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

Systemtic Name: 3-ethoxy-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]benzamide Openeye Name: 3-ethoxy-N-[[4-(4-pyridylmethyl)phenyl]carbamothioyl]benzamide CAS Name: 3-ethoxy-N-[[4-(pyridin-4-ylmethyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-ethoxy-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-ethoxy-N-[[4-(4-pyridylmethyl)phenyl]thiocarbamoyl]benzamide Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)CC3=CC=NC=C3

Isomeric SMILES

CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)CC3=CC=NC=C3

InChI

InChI=1S/C22H21N3O2S/c1-2-27-20-5-3-4-18(15-20)21(26)25-22(28)24-19-8-6-16(7-9-19)14-17-10-12-23-13-11-17/h3-13,15H,2,14H2,1H3,(H2,24,25,26,28)