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

Systemtic Name: N-[[4-chloranyl-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-ethyl-benzamide Openeye Name: N-[[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-ethyl-benzamide CAS Name: N-[[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-4-ethylbenzamide IUPAC Name: N-[[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-ethylbenzamide Traditional Name: N-[[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-4-ethyl-benzamide Formula: C25H22ClN3O2S MolecularWeight: 463.97908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22ClN3O2S/c1-4-16-5-7-17(8-6-16)23(30)29-25(32)27-18-9-10-20(26)19(13-18)24-28-21-12-14(2)11-15(3)22(21)31-24/h5-13H,4H2,1-3H3,(H2,27,29,30,32)