N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]naphthalene-2-carboxamide

Systemtic Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]naphthalene-2-carboxamide Openeye Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]naphthalene-2-carboxamide CAS Name: N-[[4-[4-(1-oxobutyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-2-naphthalenecarboxamide IUPAC Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]naphthalene-2-carboxamide Traditional Name: N-[[4-(4-butyrylpiperazino)phenyl]thiocarbamoyl]-2-naphthamide Formula: C26H28N4O2S MolecularWeight: 460.59112

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C26H28N4O2S/c1-2-5-24(31)30-16-14-29(15-17-30)23-12-10-22(11-13-23)27-26(33)28-25(32)21-9-8-19-6-3-4-7-20(19)18-21/h3-4,6-13,18H,2,5,14-17H2,1H3,(H2,27,28,32,33)