5-chloranyl-N-[[3-chloranyl-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]naphthalene-1-carboxamide

Systemtic Name: 5-chloranyl-N-[[3-chloranyl-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]naphthalene-1-carboxamide Openeye Name: 5-chloro-N-[[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]naphthalene-1-carboxamide CAS Name: 5-chloro-N-[[3-chloro-4-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: 5-chloro-N-[[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]naphthalene-1-carboxamide Traditional Name: 5-chloro-N-[[3-chloro-4-(4-isobutyrylpiperazino)phenyl]thiocarbamoyl]-1-naphthamide Formula: C26H26Cl2N4O2S MolecularWeight: 529.48124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC=CC4=C3C=CC=C4Cl)Cl

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC=CC4=C3C=CC=C4Cl)Cl

InChI

InChI=1S/C26H26Cl2N4O2S/c1-16(2)25(34)32-13-11-31(12-14-32)23-10-9-17(15-22(23)28)29-26(35)30-24(33)20-7-3-6-19-18(20)5-4-8-21(19)27/h3-10,15-16H,11-14H2,1-2H3,(H2,29,30,33,35)