N-[4-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioylamino]phenyl]-3-methyl-butanamide

Systemtic Name: N-[4-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioylamino]phenyl]-3-methyl-butanamide Openeye Name: N-[4-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioylamino]phenyl]-3-methyl-butanamide CAS Name: N-[4-[[[[(E)-3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]phenyl]-3-methylbutanamide IUPAC Name: N-[4-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioylamino]phenyl]-3-methylbutanamide Traditional Name: N-[4-[[(E)-3-(3,4-dimethoxyphenyl)acryloyl]thiocarbamoylamino]phenyl]-3-methyl-butyramide Formula: C23H27N3O4S MolecularWeight: 441.54318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C=CC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)/C=C/C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C23H27N3O4S/c1-15(2)13-22(28)24-17-7-9-18(10-8-17)25-23(31)26-21(27)12-6-16-5-11-19(29-3)20(14-16)30-4/h5-12,14-15H,13H2,1-4H3,(H,24,28)(H2,25,26,27,31)/b12-6+