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

Systemtic Name: 3-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]-N-methyl-N-phenyl-benzamide Openeye Name: 3-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]-N-methyl-N-phenyl-benzamide CAS Name: 3-[[[[(E)-3-(4-ethoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-N-methyl-N-phenylbenzamide IUPAC Name: 3-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]-N-methyl-N-phenylbenzamide Traditional Name: N-methyl-N-phenyl-3-[[(E)-3-p-phenetylacryloyl]thiocarbamoylamino]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=CC(=C2)C(=O)N(C)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C26H25N3O3S/c1-3-32-23-15-12-19(13-16-23)14-17-24(30)28-26(33)27-21-9-7-8-20(18-21)25(31)29(2)22-10-5-4-6-11-22/h4-18H,3H2,1-2H3,(H2,27,28,30,33)/b17-14+