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

Systemtic Name: 5-chloranyl-N-[[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]naphthalene-1-carboxamide Openeye Name: 5-chloro-N-[[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]naphthalene-1-carboxamide CAS Name: 5-chloro-N-[[2-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: 5-chloro-N-[[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]naphthalene-1-carboxamide Traditional Name: 5-chloro-N-[[2-(4-isobutyrylpiperazino)phenyl]thiocarbamoyl]-1-naphthamide Formula: C26H27ClN4O2S MolecularWeight: 495.03618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)C2=CC=CC=C2NC(=S)NC(=O)C3=CC=CC4=C3C=CC=C4Cl

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)C2=CC=CC=C2NC(=S)NC(=O)C3=CC=CC4=C3C=CC=C4Cl

InChI

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