2-methyl-N-[[3-(pentanoylamino)phenyl]carbamothioyl]benzamide

Systemtic Name: 2-methyl-N-[[3-(pentanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 2-methyl-N-[[3-(pentanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 2-methyl-N-[[3-(1-oxopentylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-methyl-N-[[3-(pentanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 2-methyl-N-[[3-(valerylamino)phenyl]thiocarbamoyl]benzamide Formula: C20H23N3O2S MolecularWeight: 369.48052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC=CC=C2C

Isomeric SMILES

CCCCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC=CC=C2C

InChI

InChI=1S/C20H23N3O2S/c1-3-4-12-18(24)21-15-9-7-10-16(13-15)22-20(26)23-19(25)17-11-6-5-8-14(17)2/h5-11,13H,3-4,12H2,1-2H3,(H,21,24)(H2,22,23,25,26)