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

Systemtic Name: 4-ethyl-N-[[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide Openeye Name: 4-ethyl-N-[[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide CAS Name: 4-ethyl-N-[[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-ethyl-N-[[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide Traditional Name: 4-ethyl-N-[[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]benzamide Formula: C25H23N3O2S MolecularWeight: 429.53402

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2C)C3=NC4=C(O3)C=CC(=C4)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2C)C3=NC4=C(O3)C=CC(=C4)C

InChI

InChI=1S/C25H23N3O2S/c1-4-17-9-11-18(12-10-17)23(29)28-25(31)27-20-7-5-6-19(16(20)3)24-26-21-14-15(2)8-13-22(21)30-24/h5-14H,4H2,1-3H3,(H2,27,28,29,31)