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

Systemtic Name: N-[[3-[5,7-bis(chloranyl)-1,3-benzoxazol-2-yl]phenyl]carbamothioyl]-4-ethyl-benzamide Openeye Name: N-[[3-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-ethyl-benzamide CAS Name: N-[[3-(5,7-dichloro-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-4-ethylbenzamide IUPAC Name: N-[[3-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-ethylbenzamide Traditional Name: N-[[3-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-4-ethyl-benzamide Formula: C23H17Cl2N3O2S MolecularWeight: 470.37098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H17Cl2N3O2S/c1-2-13-6-8-14(9-7-13)21(29)28-23(31)26-17-5-3-4-15(10-17)22-27-19-12-16(24)11-18(25)20(19)30-22/h3-12H,2H2,1H3,(H2,26,28,29,31)