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

Systemtic Name: N-[[2-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-ethyl-benzamide Openeye Name: N-[[2-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-ethyl-benzamide CAS Name: N-[[2-(1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-4-ethylbenzamide IUPAC Name: N-[[2-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-ethylbenzamide Traditional Name: N-[[2-(1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-4-ethyl-benzamide Formula: C23H19N3O2S MolecularWeight: 401.48086

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C3=NC4=CC=CC=C4O3

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C23H19N3O2S/c1-2-15-11-13-16(14-12-15)21(27)26-23(29)25-18-8-4-3-7-17(18)22-24-19-9-5-6-10-20(19)28-22/h3-14H,2H2,1H3,(H2,25,26,27,29)