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

Systemtic Name: 3-butoxy-N-[[2-(5-chloranylnaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide Openeye Name: 3-butoxy-N-[[2-(5-chloro-1-naphthyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide CAS Name: 3-butoxy-N-[[[2-(5-chloro-1-naphthalenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-butoxy-N-[[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide Traditional Name: 3-butoxy-N-[[2-(5-chloro-1-naphthyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]benzamide Formula: C29H24ClN3O3S MolecularWeight: 530.03716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=CC5=C4C=CC=C5Cl

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=CC5=C4C=CC=C5Cl

InChI

InChI=1S/C29H24ClN3O3S/c1-2-3-15-35-20-8-4-7-18(16-20)27(34)33-29(37)31-19-13-14-26-25(17-19)32-28(36-26)23-11-5-10-22-21(23)9-6-12-24(22)30/h4-14,16-17H,2-3,15H2,1H3,(H2,31,33,34,37)