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

Systemtic Name: 3-bromanyl-N-[[2-(4-methylpiperazin-1-yl)carbonylphenyl]carbamothioyl]-4-phenethyloxy-benzamide Openeye Name: 3-bromo-N-[[2-(4-methylpiperazine-1-carbonyl)phenyl]carbamothioyl]-4-phenethyloxy-benzamide CAS Name: 3-bromo-N-[[2-[(4-methyl-1-piperazinyl)-oxomethyl]anilino]-sulfanylidenemethyl]-4-phenethyloxybenzamide IUPAC Name: 3-bromo-N-[[2-(4-methylpiperazine-1-carbonyl)phenyl]carbamothioyl]-4-phenethyloxybenzamide Traditional Name: 3-bromo-N-[[2-(4-methylpiperazine-1-carbonyl)phenyl]thiocarbamoyl]-4-phenethyloxy-benzamide Formula: C28H29BrN4O3S MolecularWeight: 581.52386

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC(=C(C=C3)OCCC4=CC=CC=C4)Br

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC(=C(C=C3)OCCC4=CC=CC=C4)Br

InChI

InChI=1S/C28H29BrN4O3S/c1-32-14-16-33(17-15-32)27(35)22-9-5-6-10-24(22)30-28(37)31-26(34)21-11-12-25(23(29)19-21)36-18-13-20-7-3-2-4-8-20/h2-12,19H,13-18H2,1H3,(H2,30,31,34,37)