N-[[4-chloranyl-3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]pentanamide

Systemtic Name: N-[[4-chloranyl-3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]pentanamide Openeye Name: N-[[4-chloro-3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]pentanamide CAS Name: N-[[4-chloro-3-(5,6-dimethyl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[[4-chloro-3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]pentanamide Traditional Name: N-[[4-chloro-3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]valeramide Formula: C21H22ClN3O2S MolecularWeight: 415.93628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O2S/c1-4-5-6-19(26)25-21(28)23-14-7-8-16(22)15(11-14)20-24-17-9-12(2)13(3)10-18(17)27-20/h7-11H,4-6H2,1-3H3,(H2,23,25,26,28)