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

Systemtic Name: N-[[3-chloranyl-4-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]naphthalene-2-carboxamide Openeye Name: N-[[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]naphthalene-2-carboxamide CAS Name: N-[[3-chloro-4-(4-methyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-2-naphthalenecarboxamide IUPAC Name: N-[[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]naphthalene-2-carboxamide Traditional Name: N-[[3-chloro-4-(4-methylpiperazino)phenyl]thiocarbamoyl]-2-naphthamide Formula: C23H23ClN4OS MolecularWeight: 438.97292

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC4=CC=CC=C4C=C3)Cl

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC4=CC=CC=C4C=C3)Cl

InChI

InChI=1S/C23H23ClN4OS/c1-27-10-12-28(13-11-27)21-9-8-19(15-20(21)24)25-23(30)26-22(29)18-7-6-16-4-2-3-5-17(16)14-18/h2-9,14-15H,10-13H2,1H3,(H2,25,26,29,30)