N-[[5-(5-butan-2-yl-1,3-benzoxazol-2-yl)-2-chloranyl-phenyl]carbamothioyl]naphthalene-2-carboxamide

Systemtic Name: N-[[5-(5-butan-2-yl-1,3-benzoxazol-2-yl)-2-chloranyl-phenyl]carbamothioyl]naphthalene-2-carboxamide Openeye Name: N-[[2-chloro-5-(5-sec-butyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]naphthalene-2-carboxamide CAS Name: N-[[5-(5-butan-2-yl-1,3-benzoxazol-2-yl)-2-chloroanilino]-sulfanylidenemethyl]-2-naphthalenecarboxamide IUPAC Name: N-[[5-(5-butan-2-yl-1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]naphthalene-2-carboxamide Traditional Name: N-[[2-chloro-5-(5-sec-butyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-2-naphthamide Formula: C29H24ClN3O2S MolecularWeight: 514.03776

Click to see the large picture

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=CC5=CC=CC=C5C=C4

Isomeric SMILES

CCC(C)C1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)Cl)NC(=S)NC(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C29H24ClN3O2S/c1-3-17(2)19-11-13-26-25(15-19)31-28(35-26)22-10-12-23(30)24(16-22)32-29(36)33-27(34)21-9-8-18-6-4-5-7-20(18)14-21/h4-17H,3H2,1-2H3,(H2,32,33,34,36)