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

Systemtic Name: N-[[5-(5-butan-2-yl-1,3-benzoxazol-2-yl)-2-chloranyl-phenyl]carbamothioyl]-3-chloranyl-4-ethoxy-benzamide Openeye Name: 3-chloro-N-[[2-chloro-5-(5-sec-butyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-ethoxy-benzamide CAS Name: N-[[5-(5-butan-2-yl-1,3-benzoxazol-2-yl)-2-chloroanilino]-sulfanylidenemethyl]-3-chloro-4-ethoxybenzamide IUPAC Name: N-[[5-(5-butan-2-yl-1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-3-chloro-4-ethoxybenzamide Traditional Name: 3-chloro-N-[[2-chloro-5-(5-sec-butyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-4-ethoxy-benzamide Formula: C27H25Cl2N3O3S MolecularWeight: 542.4767

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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=CC(=C(C=C4)OCC)Cl

Isomeric SMILES

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

InChI

InChI=1S/C27H25Cl2N3O3S/c1-4-15(3)16-7-11-24-22(13-16)30-26(35-24)18-6-9-19(28)21(14-18)31-27(36)32-25(33)17-8-10-23(34-5-2)20(29)12-17/h6-15H,4-5H2,1-3H3,(H2,31,32,33,36)