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

Systemtic Name: N-[[5-(5-butan-2-yl-1,3-benzoxazol-2-yl)-2-chloranyl-phenyl]carbamothioyl]-4-propan-2-yl-benzamide Openeye Name: N-[[2-chloro-5-(5-sec-butyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-isopropyl-benzamide CAS Name: N-[[5-(5-butan-2-yl-1,3-benzoxazol-2-yl)-2-chloroanilino]-sulfanylidenemethyl]-4-propan-2-ylbenzamide IUPAC Name: N-[[5-(5-butan-2-yl-1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-4-propan-2-ylbenzamide Traditional Name: N-[[2-chloro-5-(5-sec-butyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-4-isopropyl-benzamide Formula: C28H28ClN3O2S MolecularWeight: 506.05882

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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)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)C

InChI

InChI=1S/C28H28ClN3O2S/c1-5-17(4)20-11-13-25-24(14-20)30-27(34-25)21-10-12-22(29)23(15-21)31-28(35)32-26(33)19-8-6-18(7-9-19)16(2)3/h6-17H,5H2,1-4H3,(H2,31,32,33,35)