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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O2S/c1-21(2,3)24-19(26)16-10-7-11-17(14-16)22-20(27)23-18(25)13-12-15-8-5-4-6-9-15/h4-14H,1-3H3,(H,24,26)(H2,22,23,25,27)/b13-12+