N-butyl-2-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzamide

Systemtic Name: N-butyl-2-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzamide Openeye Name: N-butyl-2-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzamide CAS Name: N-butyl-2-[[[[(E)-1-oxo-3-phenylprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-butyl-2-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzamide Traditional Name: N-butyl-2-[[(E)-3-phenylacryloyl]thiocarbamoylamino]benzamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC=CC=C1NC(=S)NC(=O)C=CC2=CC=CC=C2

Isomeric SMILES

CCCCNC(=O)C1=CC=CC=C1NC(=S)NC(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C21H23N3O2S/c1-2-3-15-22-20(26)17-11-7-8-12-18(17)23-21(27)24-19(25)14-13-16-9-5-4-6-10-16/h4-14H,2-3,15H2,1H3,(H,22,26)(H2,23,24,25,27)/b14-13+