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

Systemtic Name: N-[[5-(5-chloranyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]naphthalene-1-carboxamide Openeye Name: N-[[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]naphthalene-1-carboxamide CAS Name: N-[[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: N-[[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]naphthalene-1-carboxamide Traditional Name: N-[[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]-1-naphthamide Formula: C26H18ClN3O2S MolecularWeight: 471.95802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)Cl)NC(=S)NC(=O)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)Cl)NC(=S)NC(=O)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C26H18ClN3O2S/c1-15-9-10-17(25-28-22-14-18(27)11-12-23(22)32-25)13-21(15)29-26(33)30-24(31)20-8-4-6-16-5-2-3-7-19(16)20/h2-14H,1H3,(H2,29,30,31,33)