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

Systemtic Name: 4-butoxy-N-[[2-(3-iodanylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide Openeye Name: 4-butoxy-N-[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide CAS Name: 4-butoxy-N-[[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-butoxy-N-[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide Traditional Name: 4-butoxy-N-[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]benzamide Formula: C25H22IN3O3S MolecularWeight: 571.42995

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC(=CC=C4)I

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC(=CC=C4)I

InChI

InChI=1S/C25H22IN3O3S/c1-2-3-13-31-20-10-7-16(8-11-20)23(30)29-25(33)27-19-9-12-22-21(15-19)28-24(32-22)17-5-4-6-18(26)14-17/h4-12,14-15H,2-3,13H2,1H3,(H2,27,29,30,33)