N-[[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]naphthalene-1-carboxamide

Systemtic Name: N-[[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]naphthalene-1-carboxamide Openeye Name: N-[[4-(5-sec-butyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]naphthalene-1-carboxamide CAS Name: N-[[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: N-[[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]naphthalene-1-carboxamide Traditional Name: N-[[4-(5-sec-butyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-1-naphthamide Formula: C29H25N3O2S MolecularWeight: 479.5927

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

CCC(C)C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C29H25N3O2S/c1-3-18(2)21-13-16-26-25(17-21)31-28(34-26)20-11-14-22(15-12-20)30-29(35)32-27(33)24-10-6-8-19-7-4-5-9-23(19)24/h4-18H,3H2,1-2H3,(H2,30,32,33,35)