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

Systemtic Name: N-[[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-propoxy-benzamide Openeye Name: N-[[2-(o-tolyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-propoxy-benzamide CAS Name: N-[[[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-3-propoxybenzamide IUPAC Name: N-[[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-propoxybenzamide Traditional Name: N-[[2-(o-tolyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-3-propoxy-benzamide Formula: C25H23N3O3S MolecularWeight: 445.53342

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=CC=C4C

Isomeric SMILES

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=CC=C4C

InChI

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