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

Systemtic Name: N-[[2-methoxy-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]butanamide Openeye Name: N-[[5-(5-isopropyl-1,3-benzoxazol-2-yl)-2-methoxy-phenyl]carbamothioyl]butanamide CAS Name: N-[[2-methoxy-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]butanamide IUPAC Name: N-[[2-methoxy-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]butanamide Traditional Name: N-[[5-(5-isopropyl-1,3-benzoxazol-2-yl)-2-methoxy-phenyl]thiocarbamoyl]butyramide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC(=S)NC1=C(C=CC(=C1)C2=NC3=C(O2)C=CC(=C3)C(C)C)OC

Isomeric SMILES

CCCC(=O)NC(=S)NC1=C(C=CC(=C1)C2=NC3=C(O2)C=CC(=C3)C(C)C)OC

InChI

InChI=1S/C22H25N3O3S/c1-5-6-20(26)25-22(29)24-16-12-15(8-9-18(16)27-4)21-23-17-11-14(13(2)3)7-10-19(17)28-21/h7-13H,5-6H2,1-4H3,(H2,24,25,26,29)