N-[[2-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-5-bromanyl-naphthalene-1-carboxamide

Systemtic Name: N-[[2-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-5-bromanyl-naphthalene-1-carboxamide Openeye Name: N-[[2-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-5-bromo-naphthalene-1-carboxamide CAS Name: N-[[2-(1,3-benzothiazol-2-yl)anilino]-sulfanylidenemethyl]-5-bromo-1-naphthalenecarboxamide IUPAC Name: N-[[2-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-5-bromonaphthalene-1-carboxamide Traditional Name: N-[[2-(1,3-benzothiazol-2-yl)phenyl]thiocarbamoyl]-5-bromo-1-naphthamide Formula: C25H16BrN3OS2 MolecularWeight: 518.44804

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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=CC=CC5=C4C=CC=C5Br

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC3=CC=CC=C3S2)NC(=S)NC(=O)C4=CC=CC5=C4C=CC=C5Br

InChI

InChI=1S/C25H16BrN3OS2/c26-19-11-6-8-15-16(19)9-5-10-17(15)23(30)29-25(31)28-20-12-2-1-7-18(20)24-27-21-13-3-4-14-22(21)32-24/h1-14H,(H2,28,29,30,31)