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

Systemtic Name: N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-propoxy-benzamide Openeye Name: N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-propoxy-benzamide CAS Name: N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-3-propoxybenzamide IUPAC Name: N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-propoxybenzamide Traditional Name: N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-3-propoxy-benzamide Formula: C26H25N3O3S MolecularWeight: 459.56

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C3=NC4=C(O3)C=C(C(=C4)C)C

Isomeric SMILES

CCCOC1=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/C26H25N3O3S/c1-4-12-31-21-7-5-6-19(15-21)24(30)29-26(33)27-20-10-8-18(9-11-20)25-28-22-13-16(2)17(3)14-23(22)32-25/h5-11,13-15H,4,12H2,1-3H3,(H2,27,29,30,33)