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

Systemtic Name: N-[[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-propoxy-benzamide Openeye Name: N-[[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-propoxy-benzamide CAS Name: N-[[[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-3-propoxybenzamide IUPAC Name: N-[[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-propoxybenzamide Traditional Name: N-[(2-p-phenetyl-1,3-benzoxazol-5-yl)thiocarbamoyl]-3-propoxy-benzamide Formula: C26H25N3O4S MolecularWeight: 475.5594

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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=C(C=C4)OCC

Isomeric SMILES

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

InChI

InChI=1S/C26H25N3O4S/c1-3-14-32-21-7-5-6-18(15-21)24(30)29-26(34)27-19-10-13-23-22(16-19)28-25(33-23)17-8-11-20(12-9-17)31-4-2/h5-13,15-16H,3-4,14H2,1-2H3,(H2,27,29,30,34)