N,N-diethyl-3-(3-phenylpropanoylcarbamothioylamino)benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=S)NC(=O)CCC2=CC=CC=C2

Isomeric SMILES

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=S)NC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C21H25N3O2S/c1-3-24(4-2)20(26)17-11-8-12-18(15-17)22-21(27)23-19(25)14-13-16-9-6-5-7-10-16/h5-12,15H,3-4,13-14H2,1-2H3,(H2,22,23,25,27)