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

Systemtic Name: 4-ethyl-N-[(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide Openeye Name: 4-ethyl-N-[[2-(1-naphthyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide CAS Name: 4-ethyl-N-[[[2-(1-naphthalenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-ethyl-N-[(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide Traditional Name: 4-ethyl-N-[[2-(1-naphthyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]benzamide Formula: C27H21N3O2S MolecularWeight: 451.53954

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C27H21N3O2S/c1-2-17-10-12-19(13-11-17)25(31)30-27(33)28-20-14-15-24-23(16-20)29-26(32-24)22-9-5-7-18-6-3-4-8-21(18)22/h3-16H,2H2,1H3,(H2,28,30,31,33)