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

Systemtic Name: 4-hexoxy-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]benzamide Openeye Name: 4-hexoxy-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]benzamide CAS Name: 4-hexoxy-N-[[4-[(4-methyl-1-piperazinyl)sulfonyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-hexoxy-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]benzamide Traditional Name: 4-hexoxy-N-[[4-(4-methylpiperazino)sulfonylphenyl]thiocarbamoyl]benzamide Formula: C25H34N4O4S2 MolecularWeight: 518.69186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C

InChI

InChI=1S/C25H34N4O4S2/c1-3-4-5-6-19-33-22-11-7-20(8-12-22)24(30)27-25(34)26-21-9-13-23(14-10-21)35(31,32)29-17-15-28(2)16-18-29/h7-14H,3-6,15-19H2,1-2H3,(H2,26,27,30,34)