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

Systemtic Name: 5-bromanyl-N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]naphthalene-1-carboxamide Openeye Name: 5-bromo-N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]naphthalene-1-carboxamide CAS Name: 5-bromo-N-[[4-[4-(1-oxobutyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: 5-bromo-N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]naphthalene-1-carboxamide Traditional Name: 5-bromo-N-[[4-(4-butyrylpiperazino)phenyl]thiocarbamoyl]-1-naphthamide Formula: C26H27BrN4O2S MolecularWeight: 539.48718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27BrN4O2S/c1-2-5-24(32)31-16-14-30(15-17-31)19-12-10-18(11-13-19)28-26(34)29-25(33)22-8-3-7-21-20(22)6-4-9-23(21)27/h3-4,6-13H,2,5,14-17H2,1H3,(H2,28,29,33,34)