N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methoxy-phenyl]carbamothioyl]-4-ethyl-benzamide

Systemtic Name: N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methoxy-phenyl]carbamothioyl]-4-ethyl-benzamide Openeye Name: N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methoxy-phenyl]carbamothioyl]-4-ethyl-benzamide CAS Name: N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methoxyanilino]-sulfanylidenemethyl]-4-ethylbenzamide IUPAC Name: N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl]-4-ethylbenzamide Traditional Name: N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methoxy-phenyl]thiocarbamoyl]-4-ethyl-benzamide Formula: C26H25N3O3S MolecularWeight: 459.56

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C3=NC4=C(O3)C=C(C(=C4)C)C)OC

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C3=NC4=C(O3)C=C(C(=C4)C)C)OC

InChI

InChI=1S/C26H25N3O3S/c1-5-17-6-8-18(9-7-17)24(30)29-26(33)28-21-14-19(10-11-22(21)31-4)25-27-20-12-15(2)16(3)13-23(20)32-25/h6-14H,5H2,1-4H3,(H2,28,29,30,33)