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

Systemtic Name: 5-chloranyl-N-[[2-(3-chloranyl-4-methyl-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]naphthalene-1-carboxamide Openeye Name: 5-chloro-N-[[2-(3-chloro-4-methyl-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]naphthalene-1-carboxamide CAS Name: 5-chloro-N-[[[2-(3-chloro-4-methylphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: 5-chloro-N-[[2-(3-chloro-4-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]naphthalene-1-carboxamide Traditional Name: 5-chloro-N-[[2-(3-chloro-4-methyl-phenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-1-naphthamide Formula: C26H17Cl2N3O2S MolecularWeight: 506.40308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC=CC5=C4C=CC=C5Cl)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC=CC5=C4C=CC=C5Cl)Cl

InChI

InChI=1S/C26H17Cl2N3O2S/c1-14-8-9-15(12-21(14)28)25-30-22-13-16(10-11-23(22)33-25)29-26(34)31-24(32)19-6-2-5-18-17(19)4-3-7-20(18)27/h2-13H,1H3,(H2,29,31,32,34)