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

Systemtic Name: 3,6-bis(chloranyl)-N-[[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3,6-dichloro-N-[[2-(m-tolyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3,6-dichloro-N-[[[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3,6-dichloro-N-[[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3,6-dichloro-N-[[2-(m-tolyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]benzothiophene-2-carboxamide Formula: C24H15Cl2N3O2S2 MolecularWeight: 512.4308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=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

CC1=CC=CC(=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/C24H15Cl2N3O2S2/c1-12-3-2-4-13(9-12)23-28-17-11-15(6-8-18(17)31-23)27-24(32)29-22(30)21-20(26)16-7-5-14(25)10-19(16)33-21/h2-11H,1H3,(H2,27,29,30,32)