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

Systemtic Name: N-(2-diethylaminoethyl)-4-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]benzamide Openeye Name: N-(2-diethylaminoethyl)-4-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]benzamide CAS Name: N-(2-diethylaminoethyl)-4-[[[[(E)-3-(4-ethoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(2-diethylaminoethyl)-4-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]benzamide Traditional Name: N-(2-diethylaminoethyl)-4-[[(E)-3-p-phenetylacryloyl]thiocarbamoylamino]benzamide Formula: C25H32N4O3S MolecularWeight: 468.61158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N4O3S/c1-4-29(5-2)18-17-26-24(31)20-10-12-21(13-11-20)27-25(33)28-23(30)16-9-19-7-14-22(15-8-19)32-6-3/h7-16H,4-6,17-18H2,1-3H3,(H,26,31)(H2,27,28,30,33)/b16-9+