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

Systemtic Name: 4-tert-butyl-N-[3-[[(E)-3-naphthalen-1-ylprop-2-enoyl]carbamothioylamino]phenyl]benzamide Openeye Name: 4-tert-butyl-N-[3-[[(E)-3-(1-naphthyl)prop-2-enoyl]carbamothioylamino]phenyl]benzamide CAS Name: 4-tert-butyl-N-[3-[[[[(E)-3-(1-naphthalenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]phenyl]benzamide IUPAC Name: 4-tert-butyl-N-[3-[[(E)-3-naphthalen-1-ylprop-2-enoyl]carbamothioylamino]phenyl]benzamide Traditional Name: 4-tert-butyl-N-[3-[[(E)-3-(1-naphthyl)acryloyl]thiocarbamoylamino]phenyl]benzamide Formula: C31H29N3O2S MolecularWeight: 507.64586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)NC(=S)NC(=O)C=CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)NC(=S)NC(=O)/C=C/C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C31H29N3O2S/c1-31(2,3)24-17-14-23(15-18-24)29(36)32-25-11-7-12-26(20-25)33-30(37)34-28(35)19-16-22-10-6-9-21-8-4-5-13-27(21)22/h4-20H,1-3H3,(H,32,36)(H2,33,34,35,37)/b19-16+