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

Systemtic Name: 3-bromanyl-N-[[2-(4-methylpiperazin-1-yl)carbonylphenyl]carbamothioyl]-4-propoxy-benzamide Openeye Name: 3-bromo-N-[[2-(4-methylpiperazine-1-carbonyl)phenyl]carbamothioyl]-4-propoxy-benzamide CAS Name: 3-bromo-N-[[2-[(4-methyl-1-piperazinyl)-oxomethyl]anilino]-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: 3-bromo-N-[[2-(4-methylpiperazine-1-carbonyl)phenyl]carbamothioyl]-4-propoxybenzamide Traditional Name: 3-bromo-N-[[2-(4-methylpiperazine-1-carbonyl)phenyl]thiocarbamoyl]-4-propoxy-benzamide Formula: C23H27BrN4O3S MolecularWeight: 519.45448

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCN(CC3)C)Br

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCN(CC3)C)Br

InChI

InChI=1S/C23H27BrN4O3S/c1-3-14-31-20-9-8-16(15-18(20)24)21(29)26-23(32)25-19-7-5-4-6-17(19)22(30)28-12-10-27(2)11-13-28/h4-9,15H,3,10-14H2,1-2H3,(H2,25,26,29,32)