N-[[2-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-3-chloranyl-1-benzothiophene-2-carboxamide

Systemtic Name: N-[[2-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-3-chloranyl-1-benzothiophene-2-carboxamide Openeye Name: N-[[2-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-3-chloro-benzothiophene-2-carboxamide CAS Name: N-[[2-(1,3-benzothiazol-2-yl)anilino]-sulfanylidenemethyl]-3-chloro-1-benzothiophene-2-carboxamide IUPAC Name: N-[[2-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-3-chloro-1-benzothiophene-2-carboxamide Traditional Name: N-[[2-(1,3-benzothiazol-2-yl)phenyl]thiocarbamoyl]-3-chloro-benzothiophene-2-carboxamide Formula: C23H14ClN3OS3 MolecularWeight: 480.02476

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC3=CC=CC=C3S2)NC(=S)NC(=O)C4=C(C5=CC=CC=C5S4)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC3=CC=CC=C3S2)NC(=S)NC(=O)C4=C(C5=CC=CC=C5S4)Cl

InChI

InChI=1S/C23H14ClN3OS3/c24-19-14-8-2-5-11-17(14)30-20(19)21(28)27-23(29)26-15-9-3-1-7-13(15)22-25-16-10-4-6-12-18(16)31-22/h1-12H,(H2,26,27,28,29)