N-[[4-chloranyl-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide

Systemtic Name: N-[[4-chloranyl-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Openeye Name: N-[[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide CAS Name: N-[[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-2,1,3-benzothiadiazole-5-carboxamide IUPAC Name: N-[[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Traditional Name: N-[[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]piazthiole-5-carboxamide Formula: C23H16ClN5O2S2 MolecularWeight: 493.98844

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC(=N2)C3=C(C=CC(=C3)NC(=S)NC(=O)C4=CC5=NSN=C5C=C4)Cl

Isomeric SMILES

CCC1=CC2=C(C=C1)OC(=N2)C3=C(C=CC(=C3)NC(=S)NC(=O)C4=CC5=NSN=C5C=C4)Cl

InChI

InChI=1S/C23H16ClN5O2S2/c1-2-12-3-8-20-19(9-12)26-22(31-20)15-11-14(5-6-16(15)24)25-23(32)27-21(30)13-4-7-17-18(10-13)29-33-28-17/h3-11H,2H2,1H3,(H2,25,27,30,32)