5-bromanyl-N-[[4-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-2-methoxy-benzamide

Systemtic Name: 5-bromanyl-N-[[4-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-2-methoxy-benzamide Openeye Name: 5-bromo-N-[[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-2-methoxy-benzamide CAS Name: 5-bromo-N-[[4-[4-[(4-chlorophenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-2-methoxybenzamide IUPAC Name: 5-bromo-N-[[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-2-methoxybenzamide Traditional Name: 5-bromo-N-[[4-[4-(4-chlorobenzoyl)piperazino]phenyl]thiocarbamoyl]-2-methoxy-benzamide Formula: C26H24BrClN4O3S MolecularWeight: 587.91576

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H24BrClN4O3S/c1-35-23-11-4-18(27)16-22(23)24(33)30-26(36)29-20-7-9-21(10-8-20)31-12-14-32(15-13-31)25(34)17-2-5-19(28)6-3-17/h2-11,16H,12-15H2,1H3,(H2,29,30,33,36)