3-chloranyl-4-ethoxy-N-[[3-(pentanoylamino)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-chloranyl-4-ethoxy-N-[[3-(pentanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 3-chloro-4-ethoxy-N-[[3-(pentanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 3-chloro-4-ethoxy-N-[[3-(1-oxopentylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-chloro-4-ethoxy-N-[[3-(pentanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 3-chloro-4-ethoxy-N-[[3-(valerylamino)phenyl]thiocarbamoyl]benzamide Formula: C21H24ClN3O3S MolecularWeight: 433.95156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3O3S/c1-3-5-9-19(26)23-15-7-6-8-16(13-15)24-21(29)25-20(27)14-10-11-18(28-4-2)17(22)12-14/h6-8,10-13H,3-5,9H2,1-2H3,(H,23,26)(H2,24,25,27,29)