N-[[3-(pentanoylamino)phenyl]carbamothioyl]-4-propan-2-yl-benzamide

Systemtic Name: N-[[3-(pentanoylamino)phenyl]carbamothioyl]-4-propan-2-yl-benzamide Openeye Name: 4-isopropyl-N-[[3-(pentanoylamino)phenyl]carbamothioyl]benzamide CAS Name: N-[[3-(1-oxopentylamino)anilino]-sulfanylidenemethyl]-4-propan-2-ylbenzamide IUPAC Name: N-[[3-(pentanoylamino)phenyl]carbamothioyl]-4-propan-2-ylbenzamide Traditional Name: 4-isopropyl-N-[[3-(valerylamino)phenyl]thiocarbamoyl]benzamide Formula: C22H27N3O2S MolecularWeight: 397.53368

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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)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O2S/c1-4-5-9-20(26)23-18-7-6-8-19(14-18)24-22(28)25-21(27)17-12-10-16(11-13-17)15(2)3/h6-8,10-15H,4-5,9H2,1-3H3,(H,23,26)(H2,24,25,27,28)