N-butan-2-yl-3-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)C=CC2=CC=C(C=C2)OCC

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O3S/c1-4-16(3)24-22(28)18-7-6-8-19(15-18)25-23(30)26-21(27)14-11-17-9-12-20(13-10-17)29-5-2/h6-16H,4-5H2,1-3H3,(H,24,28)(H2,25,26,27,30)/b14-11+