N-butyl-3-(3-phenylpropanoylcarbamothioylamino)benzamide

Systemtic Name: N-butyl-3-(3-phenylpropanoylcarbamothioylamino)benzamide Openeye Name: N-butyl-3-(3-phenylpropanoylcarbamothioylamino)benzamide CAS Name: N-butyl-3-[[[(1-oxo-3-phenylpropyl)amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-butyl-3-(3-phenylpropanoylcarbamothioylamino)benzamide Traditional Name: N-butyl-3-(hydrocinnamoylthiocarbamoylamino)benzamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)CCC2=CC=CC=C2

Isomeric SMILES

CCCCNC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C21H25N3O2S/c1-2-3-14-22-20(26)17-10-7-11-18(15-17)23-21(27)24-19(25)13-12-16-8-5-4-6-9-16/h4-11,15H,2-3,12-14H2,1H3,(H,22,26)(H2,23,24,25,27)