N-[(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)carbamothioyl]-4-propan-2-yl-benzamide

Systemtic Name: N-[(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)carbamothioyl]-4-propan-2-yl-benzamide Openeye Name: 4-isopropyl-N-[[2-(1-naphthyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide CAS Name: N-[[[2-(1-naphthalenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-4-propan-2-ylbenzamide IUPAC Name: N-[(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)carbamothioyl]-4-propan-2-ylbenzamide Traditional Name: 4-isopropyl-N-[[2-(1-naphthyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]benzamide Formula: C28H23N3O2S MolecularWeight: 465.56612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C28H23N3O2S/c1-17(2)18-10-12-20(13-11-18)26(32)31-28(34)29-21-14-15-25-24(16-21)30-27(33-25)23-9-5-7-19-6-3-4-8-22(19)23/h3-17H,1-2H3,(H2,29,31,32,34)