4-tert-butyl-N-[3-(2-naphthalen-1-ylethanoylcarbamothioylamino)phenyl]benzamide

Systemtic Name: 4-tert-butyl-N-[3-(2-naphthalen-1-ylethanoylcarbamothioylamino)phenyl]benzamide Openeye Name: 4-tert-butyl-N-[3-[[2-(1-naphthyl)acetyl]carbamothioylamino]phenyl]benzamide CAS Name: 4-tert-butyl-N-[3-[[[[2-(1-naphthalenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]phenyl]benzamide IUPAC Name: 4-tert-butyl-N-[3-[(2-naphthalen-1-ylacetyl)carbamothioylamino]phenyl]benzamide Traditional Name: 4-tert-butyl-N-[3-[[2-(1-naphthyl)acetyl]thiocarbamoylamino]phenyl]benzamide Formula: C30H29N3O2S MolecularWeight: 495.63516

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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)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)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C30H29N3O2S/c1-30(2,3)23-16-14-21(15-17-23)28(35)31-24-11-7-12-25(19-24)32-29(36)33-27(34)18-22-10-6-9-20-8-4-5-13-26(20)22/h4-17,19H,18H2,1-3H3,(H,31,35)(H2,32,33,34,36)