N,N-diethyl-3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]benzamide

Systemtic Name: N,N-diethyl-3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]benzamide Openeye Name: N,N-diethyl-3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]benzamide CAS Name: N,N-diethyl-3-[[[[(E)-3-(4-methoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N,N-diethyl-3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]benzamide Traditional Name: N,N-diethyl-3-[[(E)-3-(4-methoxyphenyl)acryloyl]thiocarbamoylamino]benzamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=S)NC(=O)C=CC2=CC=C(C=C2)OC

Isomeric SMILES

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=S)NC(=O)/C=C/C2=CC=C(C=C2)OC

InChI

InChI=1S/C22H25N3O3S/c1-4-25(5-2)21(27)17-7-6-8-18(15-17)23-22(29)24-20(26)14-11-16-9-12-19(28-3)13-10-16/h6-15H,4-5H2,1-3H3,(H2,23,24,26,29)/b14-11+