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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23N3O3S/c1-3-14-30-20-11-7-17(8-12-20)23(29)28-25(32)26-19-9-5-18(6-10-19)24-27-21-13-4-16(2)15-22(21)31-24/h4-13,15H,3,14H2,1-2H3,(H2,26,28,29,32)