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

Systemtic Name: N-[[3-(5-chloranyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]pentanamide Openeye Name: N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]pentanamide CAS Name: N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]pentanamide Traditional Name: N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]valeramide Formula: C20H20ClN3O2S MolecularWeight: 401.9097

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN3O2S/c1-3-4-8-18(25)24-20(27)23-15-7-5-6-14(12(15)2)19-22-16-11-13(21)9-10-17(16)26-19/h5-7,9-11H,3-4,8H2,1-2H3,(H2,23,24,25,27)