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

Systemtic Name: N-(3-methoxypropyl)-4-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzamide Openeye Name: N-(3-methoxypropyl)-4-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzamide CAS Name: N-(3-methoxypropyl)-4-[[[[(E)-1-oxo-3-phenylprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(3-methoxypropyl)-4-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzamide Traditional Name: N-(3-methoxypropyl)-4-[[(E)-3-phenylacryloyl]thiocarbamoylamino]benzamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3S/c1-27-15-5-14-22-20(26)17-9-11-18(12-10-17)23-21(28)24-19(25)13-8-16-6-3-2-4-7-16/h2-4,6-13H,5,14-15H2,1H3,(H,22,26)(H2,23,24,25,28)/b13-8+