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

Systemtic Name: N-[[[2-cyano-3-(4-methoxyphenyl)prop-2-enoyl]amino]carbamothioyl]-3-methyl-benzamide Openeye Name: N-[[[2-cyano-3-(4-methoxyphenyl)prop-2-enoyl]amino]carbamothioyl]-3-methyl-benzamide CAS Name: N-[[[2-cyano-3-(4-methoxyphenyl)-1-oxoprop-2-enyl]hydrazo]-sulfanylidenemethyl]-3-methylbenzamide IUPAC Name: N-[[[2-cyano-3-(4-methoxyphenyl)prop-2-enoyl]amino]carbamothioyl]-3-methylbenzamide Traditional Name: N-[[[2-cyano-3-(4-methoxyphenyl)acryloyl]amino]thiocarbamoyl]-3-methyl-benzamide Formula: C20H18N4O3S MolecularWeight: 394.44692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(=S)NNC(=O)C(=CC2=CC=C(C=C2)OC)C#N

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC(=S)NNC(=O)C(=CC2=CC=C(C=C2)OC)C#N

InChI

InChI=1S/C20H18N4O3S/c1-13-4-3-5-15(10-13)18(25)22-20(28)24-23-19(26)16(12-21)11-14-6-8-17(27-2)9-7-14/h3-11H,1-2H3,(H,23,26)(H2,22,24,25,28)