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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C26H25N3O2S/c1-19-10-12-21(13-11-19)15-17-25(31)29-26(32)28-23-9-5-8-22(18-23)27-24(30)16-14-20-6-3-2-4-7-20/h2-13,15,17-18H,14,16H2,1H3,(H,27,30)(H2,28,29,31,32)/b17-15+