5-bromanyl-N-[[4-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]naphthalene-1-carboxamide

Systemtic Name: 5-bromanyl-N-[[4-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]naphthalene-1-carboxamide Openeye Name: 5-bromo-N-[[4-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]naphthalene-1-carboxamide CAS Name: 5-bromo-N-[[4-(4-methylsulfonyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: 5-bromo-N-[[4-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]naphthalene-1-carboxamide Traditional Name: 5-bromo-N-[[4-(4-mesylpiperazino)phenyl]thiocarbamoyl]-1-naphthamide Formula: C23H23BrN4O3S2 MolecularWeight: 547.48772

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC4=C3C=CC=C4Br

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC4=C3C=CC=C4Br

InChI

InChI=1S/C23H23BrN4O3S2/c1-33(30,31)28-14-12-27(13-15-28)17-10-8-16(9-11-17)25-23(32)26-22(29)20-6-2-5-19-18(20)4-3-7-21(19)24/h2-11H,12-15H2,1H3,(H2,25,26,29,32)