3,6-bis(chloranyl)-N-[[2-chloranyl-5-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3,6-bis(chloranyl)-N-[[2-chloranyl-5-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3,6-dichloro-N-[[2-chloro-5-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3,6-dichloro-N-[[2-chloro-5-(5,7-dimethyl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3,6-dichloro-N-[[2-chloro-5-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3,6-dichloro-N-[[2-chloro-5-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]benzothiophene-2-carboxamide Formula: C25H16Cl3N3O2S2 MolecularWeight: 560.90244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N=C(O2)C3=CC(=C(C=C3)Cl)NC(=S)NC(=O)C4=C(C5=C(S4)C=C(C=C5)Cl)Cl)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N=C(O2)C3=CC(=C(C=C3)Cl)NC(=S)NC(=O)C4=C(C5=C(S4)C=C(C=C5)Cl)Cl)C

InChI

InChI=1S/C25H16Cl3N3O2S2/c1-11-7-12(2)21-18(8-11)29-24(33-21)13-3-6-16(27)17(9-13)30-25(34)31-23(32)22-20(28)15-5-4-14(26)10-19(15)35-22/h3-10H,1-2H3,(H2,30,31,32,34)