N-[[3-(butanoylamino)phenyl]carbamothioyl]-4-propoxy-benzamide

Systemtic Name: N-[[3-(butanoylamino)phenyl]carbamothioyl]-4-propoxy-benzamide Openeye Name: N-[[3-(butanoylamino)phenyl]carbamothioyl]-4-propoxy-benzamide CAS Name: N-[[3-(1-oxobutylamino)anilino]-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: N-[[3-(butanoylamino)phenyl]carbamothioyl]-4-propoxybenzamide Traditional Name: N-[(3-butyramidophenyl)thiocarbamoyl]-4-propoxy-benzamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC=C(C=C2)OCCC

Isomeric SMILES

CCCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC=C(C=C2)OCCC

InChI

InChI=1S/C21H25N3O3S/c1-3-6-19(25)22-16-7-5-8-17(14-16)23-21(28)24-20(26)15-9-11-18(12-10-15)27-13-4-2/h5,7-12,14H,3-4,6,13H2,1-2H3,(H,22,25)(H2,23,24,26,28)