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

Systemtic Name: N-[[4-(5-chloranyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]pentanamide Openeye Name: N-[[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]pentanamide CAS Name: N-[[4-(5-chloro-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]pentanamide Traditional Name: N-[[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]valeramide Formula: C19H18ClN3O2S MolecularWeight: 387.88312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=S)NC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)Cl

Isomeric SMILES

CCCCC(=O)NC(=S)NC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)Cl

InChI

InChI=1S/C19H18ClN3O2S/c1-2-3-4-17(24)23-19(26)21-14-8-5-12(6-9-14)18-22-15-11-13(20)7-10-16(15)25-18/h5-11H,2-4H2,1H3,(H2,21,23,24,26)