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

Systemtic Name: N-[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-propoxy-benzamide Openeye Name: 4-propoxy-N-[[2-(p-tolyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide CAS Name: N-[[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: N-[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-propoxybenzamide Traditional Name: 4-propoxy-N-[[2-(p-tolyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]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=CC3=C(C=C2)OC(=N3)C4=CC=C(C=C4)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=C(C=C4)C

InChI

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