3-bromanyl-N-[[4-[4-(diphenylmethyl)piperazin-1-yl]sulfonylphenyl]carbamothioyl]-4-(2-methoxyethoxy)benzamide

Systemtic Name: 3-bromanyl-N-[[4-[4-(diphenylmethyl)piperazin-1-yl]sulfonylphenyl]carbamothioyl]-4-(2-methoxyethoxy)benzamide Openeye Name: N-[[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]-3-bromo-4-(2-methoxyethoxy)benzamide CAS Name: 3-bromo-N-[[4-[[4-(diphenylmethyl)-1-piperazinyl]sulfonyl]anilino]-sulfanylidenemethyl]-4-(2-methoxyethoxy)benzamide IUPAC Name: N-[[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]-3-bromo-4-(2-methoxyethoxy)benzamide Traditional Name: N-[[4-(4-benzhydrylpiperazino)sulfonylphenyl]thiocarbamoyl]-3-bromo-4-(2-methoxyethoxy)benzamide Formula: C34H35BrN4O5S2 MolecularWeight: 723.6995

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)Br

Isomeric SMILES

COCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)Br

InChI

InChI=1S/C34H35BrN4O5S2/c1-43-22-23-44-31-17-12-27(24-30(31)35)33(40)37-34(45)36-28-13-15-29(16-14-28)46(41,42)39-20-18-38(19-21-39)32(25-8-4-2-5-9-25)26-10-6-3-7-11-26/h2-17,24,32H,18-23H2,1H3,(H2,36,37,40,45)