N-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-5-bromanyl-naphthalene-1-carboxamide

Systemtic Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-5-bromanyl-naphthalene-1-carboxamide Openeye Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-5-bromo-naphthalene-1-carboxamide CAS Name: N-[[4-(1,3-benzothiazol-2-yl)anilino]-sulfanylidenemethyl]-5-bromo-1-naphthalenecarboxamide IUPAC Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-5-bromonaphthalene-1-carboxamide Traditional Name: N-[[4-(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=C2C(=C1)N=C(S2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC=CC5=C4C=CC=C5Br

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC=CC5=C4C=CC=C5Br

InChI

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