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

Systemtic Name: 3-bromanyl-4-ethoxy-N-[[2-(4-methylpiperazin-1-yl)carbonylphenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-ethoxy-N-[[2-(4-methylpiperazine-1-carbonyl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-ethoxy-N-[[2-[(4-methyl-1-piperazinyl)-oxomethyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-ethoxy-N-[[2-(4-methylpiperazine-1-carbonyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-ethoxy-N-[[2-(4-methylpiperazine-1-carbonyl)phenyl]thiocarbamoyl]benzamide Formula: C22H25BrN4O3S MolecularWeight: 505.4279

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCN(CC3)C)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCN(CC3)C)Br

InChI

InChI=1S/C22H25BrN4O3S/c1-3-30-19-9-8-15(14-17(19)23)20(28)25-22(31)24-18-7-5-4-6-16(18)21(29)27-12-10-26(2)11-13-27/h4-9,14H,3,10-13H2,1-2H3,(H2,24,25,28,31)