N-[3-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]carbamothioylamino]phenyl]butanamide

Systemtic Name: N-[3-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]carbamothioylamino]phenyl]butanamide Openeye Name: N-[3-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]carbamothioylamino]phenyl]butanamide CAS Name: N-[3-[[[[(E)-3-(2-methoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]phenyl]butanamide IUPAC Name: N-[3-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]carbamothioylamino]phenyl]butanamide Traditional Name: N-[3-[[(E)-3-(2-methoxyphenyl)acryloyl]thiocarbamoylamino]phenyl]butyramide Formula: C21H23N3O3S MolecularWeight: 397.49062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C=CC2=CC=CC=C2OC

Isomeric SMILES

CCCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)/C=C/C2=CC=CC=C2OC

InChI

InChI=1S/C21H23N3O3S/c1-3-7-19(25)22-16-9-6-10-17(14-16)23-21(28)24-20(26)13-12-15-8-4-5-11-18(15)27-2/h4-6,8-14H,3,7H2,1-2H3,(H,22,25)(H2,23,24,26,28)/b13-12+