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

Systemtic Name: N-[[4-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]naphthalene-1-carboxamide Openeye Name: N-[[4-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]naphthalene-1-carboxamide CAS Name: N-[[4-(4-methylsulfonyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: N-[[4-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]naphthalene-1-carboxamide Traditional Name: N-[[4-(4-mesylpiperazino)phenyl]thiocarbamoyl]-1-naphthamide Formula: C23H24N4O3S2 MolecularWeight: 468.59166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N4O3S2/c1-32(29,30)27-15-13-26(14-16-27)19-11-9-18(10-12-19)24-23(31)25-22(28)21-8-4-6-17-5-2-3-7-20(17)21/h2-12H,13-16H2,1H3,(H2,24,25,28,31)