N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]-2-(2-methylpropoxy)benzamide

Systemtic Name: N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]-2-(2-methylpropoxy)benzamide Openeye Name: 2-isobutoxy-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]benzamide CAS Name: N-[[4-[(4-methyl-1-piperazinyl)sulfonyl]anilino]-sulfanylidenemethyl]-2-(2-methylpropoxy)benzamide IUPAC Name: N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]-2-(2-methylpropoxy)benzamide Traditional Name: 2-isobutoxy-N-[[4-(4-methylpiperazino)sulfonylphenyl]thiocarbamoyl]benzamide Formula: C23H30N4O4S2 MolecularWeight: 490.6387

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C

Isomeric SMILES

CC(C)COC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C

InChI

InChI=1S/C23H30N4O4S2/c1-17(2)16-31-21-7-5-4-6-20(21)22(28)25-23(32)24-18-8-10-19(11-9-18)33(29,30)27-14-12-26(3)13-15-27/h4-11,17H,12-16H2,1-3H3,(H2,24,25,28,32)