3-methoxy-N-[[4-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]naphthalene-2-carboxamide

Systemtic Name: 3-methoxy-N-[[4-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]naphthalene-2-carboxamide Openeye Name: 3-methoxy-N-[[4-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]naphthalene-2-carboxamide CAS Name: 3-methoxy-N-[[4-(4-methylsulfonyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-2-naphthalenecarboxamide IUPAC Name: 3-methoxy-N-[[4-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]naphthalene-2-carboxamide Traditional Name: N-[[4-(4-mesylpiperazino)phenyl]thiocarbamoyl]-3-methoxy-2-naphthamide Formula: C24H26N4O4S2 MolecularWeight: 498.61764

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=CC=CC=C2C=C1C(=O)NC(=S)NC3=CC=C(C=C3)N4CCN(CC4)S(=O)(=O)C

Isomeric SMILES

COC1=CC2=CC=CC=C2C=C1C(=O)NC(=S)NC3=CC=C(C=C3)N4CCN(CC4)S(=O)(=O)C

InChI

InChI=1S/C24H26N4O4S2/c1-32-22-16-18-6-4-3-5-17(18)15-21(22)23(29)26-24(33)25-19-7-9-20(10-8-19)27-11-13-28(14-12-27)34(2,30)31/h3-10,15-16H,11-14H2,1-2H3,(H2,25,26,29,33)