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

Systemtic Name: N-[[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-propoxy-benzamide Openeye Name: N-[[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-propoxy-benzamide CAS Name: N-[[3-(5-methyl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: N-[[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-propoxybenzamide Traditional Name: N-[[3-(5-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=CC(=C2)C3=NC4=C(O3)C=CC(=C4)C

Isomeric SMILES

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

InChI

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