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

Systemtic Name: N-methyl-3-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]carbamothioylamino]benzamide Openeye Name: N-methyl-3-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]carbamothioylamino]benzamide CAS Name: N-methyl-3-[[[[(E)-3-(4-nitrophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-methyl-3-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]carbamothioylamino]benzamide Traditional Name: N-methyl-3-[[(E)-3-(4-nitrophenyl)acryloyl]thiocarbamoylamino]benzamide Formula: C18H16N4O4S MolecularWeight: 384.40904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N4O4S/c1-19-17(24)13-3-2-4-14(11-13)20-18(27)21-16(23)10-7-12-5-8-15(9-6-12)22(25)26/h2-11H,1H3,(H,19,24)(H2,20,21,23,27)/b10-7+