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

Systemtic Name: N-[[[(E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoyl]amino]carbamothioyl]benzamide Openeye Name: N-[[[(E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoyl]amino]carbamothioyl]benzamide CAS Name: N-[[[(E)-2-cyano-3-(4-dimethylaminophenyl)-1-oxoprop-2-enyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[[(E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoyl]amino]carbamothioyl]benzamide Traditional Name: N-[[[(E)-2-cyano-3-(4-dimethylaminophenyl)acryloyl]amino]thiocarbamoyl]benzamide Formula: C20H19N5O2S MolecularWeight: 393.46216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N5O2S/c1-25(2)17-10-8-14(9-11-17)12-16(13-21)19(27)23-24-20(28)22-18(26)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,23,27)(H2,22,24,26,28)/b16-12+