3,6-bis(chloranyl)-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3,6-bis(chloranyl)-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3,6-dichloro-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3,6-dichloro-N-[[(2-phenyl-1,3-benzoxazol-5-yl)amino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3,6-dichloro-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3,6-dichloro-N-[(2-phenyl-1,3-benzoxazol-5-yl)thiocarbamoyl]benzothiophene-2-carboxamide Formula: C23H13Cl2N3O2S2 MolecularWeight: 498.40422

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=C(C5=C(S4)C=C(C=C5)Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=C(C5=C(S4)C=C(C=C5)Cl)Cl

InChI

InChI=1S/C23H13Cl2N3O2S2/c24-13-6-8-15-18(10-13)32-20(19(15)25)21(29)28-23(31)26-14-7-9-17-16(11-14)27-22(30-17)12-4-2-1-3-5-12/h1-11H,(H2,26,28,29,31)