N-butan-2-yl-4-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzamide

Systemtic Name: N-butan-2-yl-4-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzamide Openeye Name: 4-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]-N-sec-butyl-benzamide CAS Name: N-butan-2-yl-4-[[[[(E)-1-oxo-3-phenylprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-butan-2-yl-4-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzamide Traditional Name: 4-[[(E)-3-phenylacryloyl]thiocarbamoylamino]-N-sec-butyl-benzamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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