4-butoxy-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]benzamide

Systemtic Name: 4-butoxy-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]benzamide Openeye Name: 4-butoxy-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]benzamide CAS Name: 4-butoxy-N-[[4-[(4-methyl-1-piperazinyl)sulfonyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-butoxy-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]benzamide Traditional Name: 4-butoxy-N-[[4-(4-methylpiperazino)sulfonylphenyl]thiocarbamoyl]benzamide Formula: C23H30N4O4S2 MolecularWeight: 490.6387

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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