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

Systemtic Name: 3-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]-N,N-diethyl-benzamide Openeye Name: 3-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]-N,N-diethyl-benzamide CAS Name: 3-[[[[(E)-3-(4-ethoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-N,N-diethylbenzamide IUPAC Name: 3-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]-N,N-diethylbenzamide Traditional Name: N,N-diethyl-3-[[(E)-3-p-phenetylacryloyl]thiocarbamoylamino]benzamide Formula: C23H27N3O3S MolecularWeight: 425.54378

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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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O3S/c1-4-26(5-2)22(28)18-8-7-9-19(16-18)24-23(30)25-21(27)15-12-17-10-13-20(14-11-17)29-6-3/h7-16H,4-6H2,1-3H3,(H2,24,25,27,30)/b15-12+