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

Systemtic Name: N-[[5-(5-butan-2-yl-1,3-benzoxazol-2-yl)-2-chloranyl-phenyl]carbamothioyl]-3,4-dimethyl-benzamide Openeye Name: N-[[2-chloro-5-(5-sec-butyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3,4-dimethyl-benzamide CAS Name: N-[[5-(5-butan-2-yl-1,3-benzoxazol-2-yl)-2-chloroanilino]-sulfanylidenemethyl]-3,4-dimethylbenzamide IUPAC Name: N-[[5-(5-butan-2-yl-1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-3,4-dimethylbenzamide Traditional Name: N-[[2-chloro-5-(5-sec-butyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-3,4-dimethyl-benzamide Formula: C27H26ClN3O2S MolecularWeight: 492.03224

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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)C)C

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)C)C

InChI

InChI=1S/C27H26ClN3O2S/c1-5-15(2)18-9-11-24-23(13-18)29-26(33-24)20-8-10-21(28)22(14-20)30-27(34)31-25(32)19-7-6-16(3)17(4)12-19/h6-15H,5H2,1-4H3,(H2,30,31,32,34)