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

Systemtic Name: N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methoxy-phenyl]carbamothioyl]-3-methyl-butanamide Openeye Name: N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methoxy-phenyl]carbamothioyl]-3-methyl-butanamide CAS Name: N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methoxyanilino]-sulfanylidenemethyl]-3-methylbutanamide IUPAC Name: N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl]-3-methylbutanamide Traditional Name: N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methoxy-phenyl]thiocarbamoyl]-3-methyl-butyramide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)OC(=N2)C3=CC(=C(C=C3)OC)NC(=S)NC(=O)CC(C)C

Isomeric SMILES

CC1=CC2=C(C=C1C)OC(=N2)C3=CC(=C(C=C3)OC)NC(=S)NC(=O)CC(C)C

InChI

InChI=1S/C22H25N3O3S/c1-12(2)8-20(26)25-22(29)24-17-11-15(6-7-18(17)27-5)21-23-16-9-13(3)14(4)10-19(16)28-21/h6-7,9-12H,8H2,1-5H3,(H2,24,25,26,29)