3-bromanyl-4-hexoxy-N-[[2-(4-methylpiperazin-1-yl)carbonylphenyl]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-hexoxy-N-[[2-(4-methylpiperazin-1-yl)carbonylphenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-hexoxy-N-[[2-(4-methylpiperazine-1-carbonyl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-hexoxy-N-[[2-[(4-methyl-1-piperazinyl)-oxomethyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-hexoxy-N-[[2-(4-methylpiperazine-1-carbonyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-hexoxy-N-[[2-(4-methylpiperazine-1-carbonyl)phenyl]thiocarbamoyl]benzamide Formula: C26H33BrN4O3S MolecularWeight: 561.53422

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCN(CC3)C)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCN(CC3)C)Br

InChI

InChI=1S/C26H33BrN4O3S/c1-3-4-5-8-17-34-23-12-11-19(18-21(23)27)24(32)29-26(35)28-22-10-7-6-9-20(22)25(33)31-15-13-30(2)14-16-31/h6-7,9-12,18H,3-5,8,13-17H2,1-2H3,(H2,28,29,32,35)