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

Systemtic Name: N-[[5-(5-butan-2-yl-1,3-benzoxazol-2-yl)-2-chloranyl-phenyl]carbamothioyl]-3-propan-2-yloxy-benzamide Openeye Name: N-[[2-chloro-5-(5-sec-butyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-isopropoxy-benzamide CAS Name: N-[[5-(5-butan-2-yl-1,3-benzoxazol-2-yl)-2-chloroanilino]-sulfanylidenemethyl]-3-propan-2-yloxybenzamide IUPAC Name: N-[[5-(5-butan-2-yl-1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-3-propan-2-yloxybenzamide Traditional Name: N-[[2-chloro-5-(5-sec-butyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-3-isopropoxy-benzamide Formula: C28H28ClN3O3S MolecularWeight: 522.05822

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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(=CC=C4)OC(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(=CC=C4)OC(C)C

InChI

InChI=1S/C28H28ClN3O3S/c1-5-17(4)18-10-12-25-24(14-18)30-27(35-25)20-9-11-22(29)23(15-20)31-28(36)32-26(33)19-7-6-8-21(13-19)34-16(2)3/h6-17H,5H2,1-4H3,(H2,31,32,33,36)