N-[[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-ethyl-benzamide

Systemtic Name: N-[[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-ethyl-benzamide Openeye Name: N-[[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-ethyl-benzamide CAS Name: N-[[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-4-ethylbenzamide IUPAC Name: N-[[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-ethylbenzamide Traditional Name: N-[[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-4-ethyl-benzamide Formula: C25H23N3O2S MolecularWeight: 429.53402

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C3=NC4=CC(=CC(=C4O3)C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C3=NC4=CC(=CC(=C4O3)C)C

InChI

InChI=1S/C25H23N3O2S/c1-4-17-5-7-18(8-6-17)23(29)28-25(31)26-20-11-9-19(10-12-20)24-27-21-14-15(2)13-16(3)22(21)30-24/h5-14H,4H2,1-3H3,(H2,26,28,29,31)