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

Systemtic Name: 3,4,5-triethoxy-N-[[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide Openeye Name: 3,4,5-triethoxy-N-[[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide CAS Name: 3,4,5-triethoxy-N-[[[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,4,5-triethoxy-N-[[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide Traditional Name: 3,4,5-triethoxy-N-[[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]benzamide Formula: C27H26IN3O5S MolecularWeight: 631.48191

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=C(C=C4)I

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=C(C=C4)I

InChI

InChI=1S/C27H26IN3O5S/c1-4-33-22-13-17(14-23(34-5-2)24(22)35-6-3)25(32)31-27(37)29-19-11-12-21-20(15-19)30-26(36-21)16-7-9-18(28)10-8-16/h7-15H,4-6H2,1-3H3,(H2,29,31,32,37)