N-[[2-(5-chloranylnaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-hexoxy-benzamide

Systemtic Name: N-[[2-(5-chloranylnaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-hexoxy-benzamide Openeye Name: N-[[2-(5-chloro-1-naphthyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-hexoxy-benzamide CAS Name: N-[[[2-(5-chloro-1-naphthalenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: N-[[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-hexoxybenzamide Traditional Name: N-[[2-(5-chloro-1-naphthyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-4-hexoxy-benzamide Formula: C31H28ClN3O3S MolecularWeight: 558.09032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=CC5=C4C=CC=C5Cl

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=CC5=C4C=CC=C5Cl

InChI

InChI=1S/C31H28ClN3O3S/c1-2-3-4-5-18-37-22-15-12-20(13-16-22)29(36)35-31(39)33-21-14-17-28-27(19-21)34-30(38-28)25-10-6-9-24-23(25)8-7-11-26(24)32/h6-17,19H,2-5,18H2,1H3,(H2,33,35,36,39)