5-bromanyl-N-[[4-[4-(diphenylmethyl)piperazin-1-yl]sulfonylphenyl]carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-bromanyl-N-[[4-[4-(diphenylmethyl)piperazin-1-yl]sulfonylphenyl]carbamothioyl]furan-2-carboxamide Openeye Name: N-[[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]-5-bromo-furan-2-carboxamide CAS Name: 5-bromo-N-[[4-[[4-(diphenylmethyl)-1-piperazinyl]sulfonyl]anilino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: N-[[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]-5-bromofuran-2-carboxamide Traditional Name: N-[[4-(4-benzhydrylpiperazino)sulfonylphenyl]thiocarbamoyl]-5-bromo-2-furamide Formula: C29H27BrN4O4S2 MolecularWeight: 639.58308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)NC(=S)NC(=O)C5=CC=C(O5)Br

Isomeric SMILES

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)NC(=S)NC(=O)C5=CC=C(O5)Br

InChI

InChI=1S/C29H27BrN4O4S2/c30-26-16-15-25(38-26)28(35)32-29(39)31-23-11-13-24(14-12-23)40(36,37)34-19-17-33(18-20-34)27(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-16,27H,17-20H2,(H2,31,32,35,39)