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

Systemtic Name: N-[4-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]phenyl]-3-methyl-butanamide Openeye Name: N-[4-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]phenyl]-3-methyl-butanamide CAS Name: N-[4-[[[[(E)-3-(4-ethoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]phenyl]-3-methylbutanamide IUPAC Name: N-[4-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]phenyl]-3-methylbutanamide Traditional Name: 3-methyl-N-[4-[[(E)-3-p-phenetylacryloyl]thiocarbamoylamino]phenyl]butyramide Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CC(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CC(C)C

InChI

InChI=1S/C23H27N3O3S/c1-4-29-20-12-5-17(6-13-20)7-14-21(27)26-23(30)25-19-10-8-18(9-11-19)24-22(28)15-16(2)3/h5-14,16H,4,15H2,1-3H3,(H,24,28)(H2,25,26,27,30)/b14-7+