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

Systemtic Name: 3-bromanyl-4-hexoxy-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-hexoxy-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-hexoxy-N-[[4-[(4-methyl-1-piperazinyl)sulfonyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-hexoxy-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-hexoxy-N-[[4-(4-methylpiperazino)sulfonylphenyl]thiocarbamoyl]benzamide Formula: C25H33BrN4O4S2 MolecularWeight: 597.58792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33BrN4O4S2/c1-3-4-5-6-17-34-23-12-7-19(18-22(23)26)24(31)28-25(35)27-20-8-10-21(11-9-20)36(32,33)30-15-13-29(2)14-16-30/h7-12,18H,3-6,13-17H2,1-2H3,(H2,27,28,31,35)