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

Systemtic Name: N-[[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-methoxy-3-methyl-benzamide Openeye Name: N-[[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-methoxy-3-methyl-benzamide CAS Name: N-[[3-(5-ethyl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-2-methoxy-3-methylbenzamide IUPAC Name: N-[[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-methoxy-3-methylbenzamide Traditional Name: N-[[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-2-methoxy-3-methyl-benzamide Formula: C25H23N3O3S MolecularWeight: 445.53342

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC(=N2)C3=CC(=CC=C3)NC(=S)NC(=O)C4=C(C(=CC=C4)C)OC

Isomeric SMILES

CCC1=CC2=C(C=C1)OC(=N2)C3=CC(=CC=C3)NC(=S)NC(=O)C4=C(C(=CC=C4)C)OC

InChI

InChI=1S/C25H23N3O3S/c1-4-16-11-12-21-20(13-16)27-24(31-21)17-8-6-9-18(14-17)26-25(32)28-23(29)19-10-5-7-15(2)22(19)30-3/h5-14H,4H2,1-3H3,(H2,26,28,29,32)