2-(4-chloranyl-3-methyl-phenoxy)-N-[[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]ethanamide

Systemtic Name: 2-(4-chloranyl-3-methyl-phenoxy)-N-[[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]ethanamide Openeye Name: 2-(4-chloro-3-methyl-phenoxy)-N-[[3-(5-isopropyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]acetamide CAS Name: 2-(4-chloro-3-methylphenoxy)-N-[[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-chloro-3-methylphenoxy)-N-[[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]acetamide Traditional Name: 2-(4-chloro-3-methyl-phenoxy)-N-[[3-(5-isopropyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]acetamide Formula: C26H24ClN3O3S MolecularWeight: 494.00506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=O)NC(=S)NC2=CC=CC(=C2)C3=NC4=C(O3)C=CC(=C4)C(C)C)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)NC(=S)NC2=CC=CC(=C2)C3=NC4=C(O3)C=CC(=C4)C(C)C)Cl

InChI

InChI=1S/C26H24ClN3O3S/c1-15(2)17-7-10-23-22(13-17)29-25(33-23)18-5-4-6-19(12-18)28-26(34)30-24(31)14-32-20-8-9-21(27)16(3)11-20/h4-13,15H,14H2,1-3H3,(H2,28,30,31,34)