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

Systemtic Name: N-[[2-(3-bromanyl-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]pentanamide Openeye Name: N-[[2-(3-bromo-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]pentanamide CAS Name: N-[[[2-(3-bromo-4-methoxyphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[[2-(3-bromo-4-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]pentanamide Traditional Name: N-[[2-(3-bromo-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]valeramide Formula: C20H20BrN3O3S MolecularWeight: 462.3601

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=S)NC1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)OC)Br

Isomeric SMILES

CCCCC(=O)NC(=S)NC1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)OC)Br

InChI

InChI=1S/C20H20BrN3O3S/c1-3-4-5-18(25)24-20(28)22-13-7-9-17-15(11-13)23-19(27-17)12-6-8-16(26-2)14(21)10-12/h6-11H,3-5H2,1-2H3,(H2,22,24,25,28)