N,N-diethyl-3-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]carbamothioylamino]benzamide

Systemtic Name: N,N-diethyl-3-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]carbamothioylamino]benzamide Openeye Name: N,N-diethyl-3-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]carbamothioylamino]benzamide CAS Name: N,N-diethyl-3-[[[[(E)-3-(4-nitrophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N,N-diethyl-3-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]carbamothioylamino]benzamide Traditional Name: N,N-diethyl-3-[[(E)-3-(4-nitrophenyl)acryloyl]thiocarbamoylamino]benzamide Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=S)NC(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=S)NC(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O4S/c1-3-24(4-2)20(27)16-6-5-7-17(14-16)22-21(30)23-19(26)13-10-15-8-11-18(12-9-15)25(28)29/h5-14H,3-4H2,1-2H3,(H2,22,23,26,30)/b13-10+