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

Systemtic Name: N-[4-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]phenyl]-3-methyl-benzamide Openeye Name: N-[4-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]phenyl]-3-methyl-benzamide CAS Name: N-[4-[[[[(E)-3-(4-ethoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]phenyl]-3-methylbenzamide IUPAC Name: N-[4-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]phenyl]-3-methylbenzamide Traditional Name: 3-methyl-N-[4-[[(E)-3-p-phenetylacryloyl]thiocarbamoylamino]phenyl]benzamide Formula: C26H25N3O3S MolecularWeight: 459.56

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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)C3=CC(=CC=C3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)C

InChI

InChI=1S/C26H25N3O3S/c1-3-32-23-14-7-19(8-15-23)9-16-24(30)29-26(33)28-22-12-10-21(11-13-22)27-25(31)20-6-4-5-18(2)17-20/h4-17H,3H2,1-2H3,(H,27,31)(H2,28,29,30,33)/b16-9+