5-chloranyl-N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]naphthalene-1-carboxamide

Systemtic Name: 5-chloranyl-N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]naphthalene-1-carboxamide Openeye Name: 5-chloro-N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]naphthalene-1-carboxamide CAS Name: 5-chloro-N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: 5-chloro-N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]naphthalene-1-carboxamide Traditional Name: 5-chloro-N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]-1-naphthamide Formula: C28H22ClN3O2S MolecularWeight: 500.01118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N=C(O2)C3=C(C(=CC=C3)NC(=S)NC(=O)C4=CC=CC5=C4C=CC=C5Cl)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N=C(O2)C3=C(C(=CC=C3)NC(=S)NC(=O)C4=CC=CC5=C4C=CC=C5Cl)C)C

InChI

InChI=1S/C28H22ClN3O2S/c1-15-13-16(2)25-24(14-15)30-27(34-25)18-7-6-12-23(17(18)3)31-28(35)32-26(33)21-10-4-9-20-19(21)8-5-11-22(20)29/h4-14H,1-3H3,(H2,31,32,33,35)