3-butoxy-N-[[4-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-butoxy-N-[[4-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Openeye Name: 3-butoxy-N-[[4-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]benzamide CAS Name: 3-butoxy-N-[[4-(4-methylsulfonyl-1-piperazinyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-butoxy-N-[[4-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Traditional Name: 3-butoxy-N-[[4-(4-mesylpiperazino)phenyl]thiocarbamoyl]benzamide Formula: C23H30N4O4S2 MolecularWeight: 490.6387

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C23H30N4O4S2/c1-3-4-16-31-21-7-5-6-18(17-21)22(28)25-23(32)24-19-8-10-20(11-9-19)26-12-14-27(15-13-26)33(2,29)30/h5-11,17H,3-4,12-16H2,1-2H3,(H2,24,25,28,32)