N-[4-chloranyl-3-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]phenyl]butanamide

Systemtic Name: N-[4-chloranyl-3-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]phenyl]butanamide Openeye Name: N-[4-chloro-3-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]phenyl]butanamide CAS Name: N-[4-chloro-3-[[[[(E)-3-(4-ethoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]phenyl]butanamide IUPAC Name: N-[4-chloro-3-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]phenyl]butanamide Traditional Name: N-[4-chloro-3-[[(E)-3-p-phenetylacryloyl]thiocarbamoylamino]phenyl]butyramide Formula: C22H24ClN3O3S MolecularWeight: 445.96226

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=C(C=C1)Cl)NC(=S)NC(=O)C=CC2=CC=C(C=C2)OCC

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClN3O3S/c1-3-5-20(27)24-16-9-12-18(23)19(14-16)25-22(30)26-21(28)13-8-15-6-10-17(11-7-15)29-4-2/h6-14H,3-5H2,1-2H3,(H,24,27)(H2,25,26,28,30)/b13-8+