5-bromanyl-N-[[4-(4-butanoylpiperazin-1-yl)-3-chloranyl-phenyl]carbamothioyl]naphthalene-1-carboxamide

Systemtic Name: 5-bromanyl-N-[[4-(4-butanoylpiperazin-1-yl)-3-chloranyl-phenyl]carbamothioyl]naphthalene-1-carboxamide Openeye Name: 5-bromo-N-[[4-(4-butanoylpiperazin-1-yl)-3-chloro-phenyl]carbamothioyl]naphthalene-1-carboxamide CAS Name: 5-bromo-N-[[3-chloro-4-[4-(1-oxobutyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: 5-bromo-N-[[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]naphthalene-1-carboxamide Traditional Name: 5-bromo-N-[[4-(4-butyrylpiperazino)-3-chloro-phenyl]thiocarbamoyl]-1-naphthamide Formula: C26H26BrClN4O2S MolecularWeight: 573.93224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26BrClN4O2S/c1-2-5-24(33)32-14-12-31(13-15-32)23-11-10-17(16-22(23)28)29-26(35)30-25(34)20-8-3-7-19-18(20)6-4-9-21(19)27/h3-4,6-11,16H,2,5,12-15H2,1H3,(H2,29,30,34,35)