3,6-bis(chloranyl)-N-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3,6-bis(chloranyl)-N-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3,6-dichloro-N-[[2-(4-pyridyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3,6-dichloro-N-[[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)amino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3,6-dichloro-N-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3,6-dichloro-N-[[2-(4-pyridyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]benzothiophene-2-carboxamide Formula: C22H12Cl2N4O2S2 MolecularWeight: 499.39228

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1NC(=S)NC(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl)N=C(O2)C5=CC=NC=C5

Isomeric SMILES

C1=CC2=C(C=C1NC(=S)NC(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl)N=C(O2)C5=CC=NC=C5

InChI

InChI=1S/C22H12Cl2N4O2S2/c23-12-1-3-14-17(9-12)32-19(18(14)24)20(29)28-22(31)26-13-2-4-16-15(10-13)27-21(30-16)11-5-7-25-8-6-11/h1-10H,(H2,26,28,29,31)