N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-ethoxy-benzamide

Systemtic Name: N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-ethoxy-benzamide Openeye Name: N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-ethoxy-benzamide CAS Name: N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-3-ethoxybenzamide IUPAC Name: N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-ethoxybenzamide Traditional Name: N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-3-ethoxy-benzamide Formula: C25H23N3O3S MolecularWeight: 445.53342

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C3=NC4=C(O3)C=C(C(=C4)C)C

Isomeric SMILES

CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C3=NC4=C(O3)C=C(C(=C4)C)C

InChI

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