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

Systemtic Name: 5-bromanyl-N-[[2-[4-(diphenylmethyl)piperazin-1-yl]carbonylphenyl]carbamothioyl]furan-2-carboxamide Openeye Name: N-[[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]carbamothioyl]-5-bromo-furan-2-carboxamide CAS Name: 5-bromo-N-[[2-[[4-(diphenylmethyl)-1-piperazinyl]-oxomethyl]anilino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: N-[[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]carbamothioyl]-5-bromofuran-2-carboxamide Traditional Name: N-[[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]thiocarbamoyl]-5-bromo-2-furamide Formula: C30H27BrN4O3S MolecularWeight: 603.52938

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4NC(=S)NC(=O)C5=CC=C(O5)Br

Isomeric SMILES

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4NC(=S)NC(=O)C5=CC=C(O5)Br

InChI

InChI=1S/C30H27BrN4O3S/c31-26-16-15-25(38-26)28(36)33-30(39)32-24-14-8-7-13-23(24)29(37)35-19-17-34(18-20-35)27(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-16,27H,17-20H2,(H2,32,33,36,39)