N-[[[(E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoyl]amino]carbamothioyl]benzamide

Systemtic Name: N-[[[(E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoyl]amino]carbamothioyl]benzamide Openeye Name: N-[[[(E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoyl]amino]carbamothioyl]benzamide CAS Name: N-[[[(E)-2-cyano-3-(4-methoxyphenyl)-1-oxoprop-2-enyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[[(E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoyl]amino]carbamothioyl]benzamide Traditional Name: N-[[[(E)-2-cyano-3-(4-methoxyphenyl)acryloyl]amino]thiocarbamoyl]benzamide Formula: C19H16N4O3S MolecularWeight: 380.42034

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=C(C#N)C(=O)NNC(=S)NC(=O)C2=CC=CC=C2

Isomeric SMILES

COC1=CC=C(C=C1)/C=C(\C#N)/C(=O)NNC(=S)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H16N4O3S/c1-26-16-9-7-13(8-10-16)11-15(12-20)18(25)22-23-19(27)21-17(24)14-5-3-2-4-6-14/h2-11H,1H3,(H,22,25)(H2,21,23,24,27)/b15-11+