N-ethyl-4-[[(E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioylamino]-N-phenyl-benzamide

Systemtic Name: N-ethyl-4-[[(E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioylamino]-N-phenyl-benzamide Openeye Name: N-ethyl-N-phenyl-4-[[(E)-3-(p-tolyl)prop-2-enoyl]carbamothioylamino]benzamide CAS Name: N-ethyl-4-[[[[(E)-3-(4-methylphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-N-phenylbenzamide IUPAC Name: N-ethyl-4-[[(E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioylamino]-N-phenylbenzamide Traditional Name: N-ethyl-N-phenyl-4-[[(E)-3-(p-tolyl)acryloyl]thiocarbamoylamino]benzamide Formula: C26H25N3O2S MolecularWeight: 443.5606

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)C(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C=CC3=CC=C(C=C3)C

Isomeric SMILES

CCN(C1=CC=CC=C1)C(=O)C2=CC=C(C=C2)NC(=S)NC(=O)/C=C/C3=CC=C(C=C3)C

InChI

InChI=1S/C26H25N3O2S/c1-3-29(23-7-5-4-6-8-23)25(31)21-14-16-22(17-15-21)27-26(32)28-24(30)18-13-20-11-9-19(2)10-12-20/h4-18H,3H2,1-2H3,(H2,27,28,30,32)/b18-13+