3-methyl-N-[4-[[(E)-3-naphthalen-1-ylprop-2-enoyl]carbamothioylamino]phenyl]butanamide

Systemtic Name: 3-methyl-N-[4-[[(E)-3-naphthalen-1-ylprop-2-enoyl]carbamothioylamino]phenyl]butanamide Openeye Name: 3-methyl-N-[4-[[(E)-3-(1-naphthyl)prop-2-enoyl]carbamothioylamino]phenyl]butanamide CAS Name: 3-methyl-N-[4-[[[[(E)-3-(1-naphthalenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]phenyl]butanamide IUPAC Name: 3-methyl-N-[4-[[(E)-3-naphthalen-1-ylprop-2-enoyl]carbamothioylamino]phenyl]butanamide Traditional Name: 3-methyl-N-[4-[[(E)-3-(1-naphthyl)acryloyl]thiocarbamoylamino]phenyl]butyramide Formula: C25H25N3O2S MolecularWeight: 431.5499

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C=CC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)/C=C/C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C25H25N3O2S/c1-17(2)16-24(30)26-20-11-13-21(14-12-20)27-25(31)28-23(29)15-10-19-8-5-7-18-6-3-4-9-22(18)19/h3-15,17H,16H2,1-2H3,(H,26,30)(H2,27,28,29,31)/b15-10+