5-bromanyl-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]-2-phenethyloxy-benzamide

Systemtic Name: 5-bromanyl-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: 5-bromo-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[[4-[(4-methyl-1-piperazinyl)sulfonyl]anilino]-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]-2-phenethyloxybenzamide Traditional Name: 5-bromo-N-[[4-(4-methylpiperazino)sulfonylphenyl]thiocarbamoyl]-2-phenethyloxy-benzamide Formula: C27H29BrN4O4S2 MolecularWeight: 617.57756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29BrN4O4S2/c1-31-14-16-32(17-15-31)38(34,35)23-10-8-22(9-11-23)29-27(37)30-26(33)24-19-21(28)7-12-25(24)36-18-13-20-5-3-2-4-6-20/h2-12,19H,13-18H2,1H3,(H2,29,30,33,37)