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

Systemtic Name: N-[[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-(4-chloranyl-3-methyl-phenoxy)ethanamide Openeye Name: 2-(4-chloro-3-methyl-phenoxy)-N-[[4-(5-sec-butyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]acetamide CAS Name: N-[[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-2-(4-chloro-3-methylphenoxy)acetamide IUPAC Name: N-[[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-(4-chloro-3-methylphenoxy)acetamide Traditional Name: 2-(4-chloro-3-methyl-phenoxy)-N-[[4-(5-sec-butyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]acetamide Formula: C27H26ClN3O3S MolecularWeight: 508.03164

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)NC(=S)NC(=O)COC4=CC(=C(C=C4)Cl)C

Isomeric SMILES

CCC(C)C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)NC(=S)NC(=O)COC4=CC(=C(C=C4)Cl)C

InChI

InChI=1S/C27H26ClN3O3S/c1-4-16(2)19-7-12-24-23(14-19)30-26(34-24)18-5-8-20(9-6-18)29-27(35)31-25(32)15-33-21-10-11-22(28)17(3)13-21/h5-14,16H,4,15H2,1-3H3,(H2,29,31,32,35)