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

Systemtic Name: N-[[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]butanamide Openeye Name: N-[[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]butanamide CAS Name: N-[[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]butanamide IUPAC Name: N-[[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]butanamide Traditional Name: N-[[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]butyramide Formula: C20H21N3O3S MolecularWeight: 383.46404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O3S/c1-4-5-18(24)23-20(27)22-15-10-13(7-6-12(15)2)19-21-16-11-14(25-3)8-9-17(16)26-19/h6-11H,4-5H2,1-3H3,(H2,22,23,24,27)