N-butan-2-yl-4-[[(E)-3-naphthalen-1-ylprop-2-enoyl]carbamothioylamino]benzamide

Systemtic Name: N-butan-2-yl-4-[[(E)-3-naphthalen-1-ylprop-2-enoyl]carbamothioylamino]benzamide Openeye Name: 4-[[(E)-3-(1-naphthyl)prop-2-enoyl]carbamothioylamino]-N-sec-butyl-benzamide CAS Name: N-butan-2-yl-4-[[[[(E)-3-(1-naphthalenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-butan-2-yl-4-[[(E)-3-naphthalen-1-ylprop-2-enoyl]carbamothioylamino]benzamide Traditional Name: 4-[[(E)-3-(1-naphthyl)acryloyl]thiocarbamoylamino]-N-sec-butyl-benzamide Formula: C25H25N3O2S MolecularWeight: 431.5499

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O2S/c1-3-17(2)26-24(30)20-11-14-21(15-12-20)27-25(31)28-23(29)16-13-19-9-6-8-18-7-4-5-10-22(18)19/h4-17H,3H2,1-2H3,(H,26,30)(H2,27,28,29,31)/b16-13+