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

Systemtic Name: N-[[5-(5-butan-2-yl-1,3-benzoxazol-2-yl)-2-chloranyl-phenyl]carbamothioyl]-2-chloranyl-4-methyl-benzamide Openeye Name: 2-chloro-N-[[2-chloro-5-(5-sec-butyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-methyl-benzamide CAS Name: N-[[5-(5-butan-2-yl-1,3-benzoxazol-2-yl)-2-chloroanilino]-sulfanylidenemethyl]-2-chloro-4-methylbenzamide IUPAC Name: N-[[5-(5-butan-2-yl-1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-2-chloro-4-methylbenzamide Traditional Name: 2-chloro-N-[[2-chloro-5-(5-sec-butyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-4-methyl-benzamide Formula: C26H23Cl2N3O2S MolecularWeight: 512.45072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H23Cl2N3O2S/c1-4-15(3)16-7-10-23-22(12-16)29-25(33-23)17-6-9-19(27)21(13-17)30-26(34)31-24(32)18-8-5-14(2)11-20(18)28/h5-13,15H,4H2,1-3H3,(H2,30,31,32,34)