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

Systemtic Name: 3,6-bis(chloranyl)-N-[(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3,6-dichloro-N-[[2-(2-naphthyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3,6-dichloro-N-[[[2-(2-naphthalenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3,6-dichloro-N-[(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3,6-dichloro-N-[[2-(2-naphthyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]benzothiophene-2-carboxamide Formula: C27H15Cl2N3O2S2 MolecularWeight: 548.4629

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)C3=NC4=C(O3)C=CC(=C4)NC(=S)NC(=O)C5=C(C6=C(S5)C=C(C=C6)Cl)Cl

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)C3=NC4=C(O3)C=CC(=C4)NC(=S)NC(=O)C5=C(C6=C(S5)C=C(C=C6)Cl)Cl

InChI

InChI=1S/C27H15Cl2N3O2S2/c28-17-7-9-19-22(12-17)36-24(23(19)29)25(33)32-27(35)30-18-8-10-21-20(13-18)31-26(34-21)16-6-5-14-3-1-2-4-15(14)11-16/h1-13H,(H2,30,32,33,35)