N-[[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]pentanamide

Systemtic Name: N-[[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]pentanamide Openeye Name: N-[[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]pentanamide CAS Name: N-[[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]pentanamide Traditional Name: N-[[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]valeramide Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=S)NC1=CC=CC(=C1C)C2=NC3=C(O2)C=C(C(=C3)C)C

Isomeric SMILES

CCCCC(=O)NC(=S)NC1=CC=CC(=C1C)C2=NC3=C(O2)C=C(C(=C3)C)C

InChI

InChI=1S/C22H25N3O2S/c1-5-6-10-20(26)25-22(28)24-17-9-7-8-16(15(17)4)21-23-18-11-13(2)14(3)12-19(18)27-21/h7-9,11-12H,5-6,10H2,1-4H3,(H2,24,25,26,28)