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

Systemtic Name: N-cyclohexyl-4-[[(E)-3-naphthalen-1-ylprop-2-enoyl]carbamothioylamino]benzamide Openeye Name: N-cyclohexyl-4-[[(E)-3-(1-naphthyl)prop-2-enoyl]carbamothioylamino]benzamide CAS Name: N-cyclohexyl-4-[[[[(E)-3-(1-naphthalenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-cyclohexyl-4-[[(E)-3-naphthalen-1-ylprop-2-enoyl]carbamothioylamino]benzamide Traditional Name: N-cyclohexyl-4-[[(E)-3-(1-naphthyl)acryloyl]thiocarbamoylamino]benzamide Formula: C27H27N3O2S MolecularWeight: 457.58718

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C=CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1CCC(CC1)NC(=O)C2=CC=C(C=C2)NC(=S)NC(=O)/C=C/C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C27H27N3O2S/c31-25(18-15-20-9-6-8-19-7-4-5-12-24(19)20)30-27(33)29-23-16-13-21(14-17-23)26(32)28-22-10-2-1-3-11-22/h4-9,12-18,22H,1-3,10-11H2,(H,28,32)(H2,29,30,31,33)/b18-15+