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3-butoxy-N-[4-(propanoylcarbamothioylamino)phenyl]benzamide

3-butoxy-N-[4-(propanoylcarbamothioylamino)phenyl]benzamide

Systemtic Name:3-butoxy-N-[4-(propanoylcarbamothioylamino)phenyl]benzamide
Openeye Name:3-butoxy-N-[4-(propanoylcarbamothioylamino)phenyl]benzamide
CAS Name:3-butoxy-N-[4-[[(1-oxopropylamino)-sulfanylidenemethyl]amino]phenyl]benzamide
IUPAC Name:3-butoxy-N-[4-(propanoylcarbamothioylamino)phenyl]benzamide
Traditional Name:3-butoxy-N-[4-(propionylthiocarbamoylamino)phenyl]benzamide
Formula: C21H25N3O3S
MolecularWeight: 399.5065
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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)CC


Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)CC


InChI

InChI=1S/C21H25N3O3S/c1-3-5-13-27-18-8-6-7-15(14-18)20(26)22-16-9-11-17(12-10-16)23-21(28)24-19(25)4-2/h6-12,14H,3-5,13H2,1-2H3,(H,22,26)(H2,23,24,25,28)


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