N-cyclohexyl-2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioyl-methyl-amino]benzamide

Systemtic Name: N-cyclohexyl-2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioyl-methyl-amino]benzamide Openeye Name: N-cyclohexyl-2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioyl-methyl-amino]benzamide CAS Name: N-cyclohexyl-2-[[[[(E)-3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]-methylamino]benzamide IUPAC Name: N-cyclohexyl-2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioyl-methylamino]benzamide Traditional Name: N-cyclohexyl-2-[[(E)-3-(3,4-dimethoxyphenyl)acryloyl]thiocarbamoyl-methyl-amino]benzamide Formula: C26H31N3O4S MolecularWeight: 481.60704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)NC2CCCCC2)C(=S)NC(=O)C=CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)NC2CCCCC2)C(=S)NC(=O)/C=C/C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C26H31N3O4S/c1-29(21-12-8-7-11-20(21)25(31)27-19-9-5-4-6-10-19)26(34)28-24(30)16-14-18-13-15-22(32-2)23(17-18)33-3/h7-8,11-17,19H,4-6,9-10H2,1-3H3,(H,27,31)(H,28,30,34)/b16-14+