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

Systemtic Name: N-[[4-(4-butanoylpiperazin-1-yl)-3-chloranyl-phenyl]carbamothioyl]naphthalene-1-carboxamide Openeye Name: N-[[4-(4-butanoylpiperazin-1-yl)-3-chloro-phenyl]carbamothioyl]naphthalene-1-carboxamide CAS Name: N-[[3-chloro-4-[4-(1-oxobutyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: N-[[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]naphthalene-1-carboxamide Traditional Name: N-[[4-(4-butyrylpiperazino)-3-chloro-phenyl]thiocarbamoyl]-1-naphthamide Formula: C26H27ClN4O2S MolecularWeight: 495.03618

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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=CC=CC=C43)Cl

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC=CC4=CC=CC=C43)Cl

InChI

InChI=1S/C26H27ClN4O2S/c1-2-6-24(32)31-15-13-30(14-16-31)23-12-11-19(17-22(23)27)28-26(34)29-25(33)21-10-5-8-18-7-3-4-9-20(18)21/h3-5,7-12,17H,2,6,13-16H2,1H3,(H2,28,29,33,34)