N-[[2-(1,3-benzothiazol-2-yl)-4-bromanyl-phenyl]carbamothioyl]naphthalene-1-carboxamide

Systemtic Name: N-[[2-(1,3-benzothiazol-2-yl)-4-bromanyl-phenyl]carbamothioyl]naphthalene-1-carboxamide Openeye Name: N-[[2-(1,3-benzothiazol-2-yl)-4-bromo-phenyl]carbamothioyl]naphthalene-1-carboxamide CAS Name: N-[[2-(1,3-benzothiazol-2-yl)-4-bromoanilino]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: N-[[2-(1,3-benzothiazol-2-yl)-4-bromophenyl]carbamothioyl]naphthalene-1-carboxamide Traditional Name: N-[[2-(1,3-benzothiazol-2-yl)-4-bromo-phenyl]thiocarbamoyl]-1-naphthamide Formula: C25H16BrN3OS2 MolecularWeight: 518.44804

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C(=O)NC(=S)NC3=C(C=C(C=C3)Br)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2C(=O)NC(=S)NC3=C(C=C(C=C3)Br)C4=NC5=CC=CC=C5S4

InChI

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