N-[[3-(4-butoxyphenyl)propanoylamino]carbamothioyl]benzamide

Systemtic Name: N-[[3-(4-butoxyphenyl)propanoylamino]carbamothioyl]benzamide Openeye Name: N-[[3-(4-butoxyphenyl)propanoylamino]carbamothioyl]benzamide CAS Name: N-[[[3-(4-butoxyphenyl)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[3-(4-butoxyphenyl)propanoylamino]carbamothioyl]benzamide Traditional Name: N-[[3-(4-butoxyphenyl)propanoylamino]thiocarbamoyl]benzamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)CCC(=O)NNC(=S)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCOC1=CC=C(C=C1)CCC(=O)NNC(=S)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H25N3O3S/c1-2-3-15-27-18-12-9-16(10-13-18)11-14-19(25)23-24-21(28)22-20(26)17-7-5-4-6-8-17/h4-10,12-13H,2-3,11,14-15H2,1H3,(H,23,25)(H2,22,24,26,28)