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

Systemtic Name: N-[[2-(5-chloranylnaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-propoxy-benzamide Openeye Name: N-[[2-(5-chloro-1-naphthyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-propoxy-benzamide CAS Name: N-[[[2-(5-chloro-1-naphthalenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: N-[[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-propoxybenzamide Traditional Name: N-[[2-(5-chloro-1-naphthyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-4-propoxy-benzamide Formula: C28H22ClN3O3S MolecularWeight: 516.01058

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=CC5=C4C=CC=C5Cl

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=CC5=C4C=CC=C5Cl

InChI

InChI=1S/C28H22ClN3O3S/c1-2-15-34-19-12-9-17(10-13-19)26(33)32-28(36)30-18-11-14-25-24(16-18)31-27(35-25)22-7-3-6-21-20(22)5-4-8-23(21)29/h3-14,16H,2,15H2,1H3,(H2,30,32,33,36)