4-iodanyl-N-[[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide

Systemtic Name: 4-iodanyl-N-[[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide Openeye Name: 4-iodo-N-[[3-(5-isopropyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide CAS Name: 4-iodo-N-[[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-iodo-N-[[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide Traditional Name: 4-iodo-N-[[3-(5-isopropyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]benzamide Formula: C24H20IN3O2S MolecularWeight: 541.40397

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)OC(=N2)C3=CC(=CC=C3)NC(=S)NC(=O)C4=CC=C(C=C4)I

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)OC(=N2)C3=CC(=CC=C3)NC(=S)NC(=O)C4=CC=C(C=C4)I

InChI

InChI=1S/C24H20IN3O2S/c1-14(2)16-8-11-21-20(13-16)27-23(30-21)17-4-3-5-19(12-17)26-24(31)28-22(29)15-6-9-18(25)10-7-15/h3-14H,1-2H3,(H2,26,28,29,31)