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

Systemtic Name: 3-bromanyl-N-[[2-[4-(diphenylmethyl)piperazin-1-yl]carbonylphenyl]carbamothioyl]-4-hexoxy-benzamide Openeye Name: N-[[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]carbamothioyl]-3-bromo-4-hexoxy-benzamide CAS Name: 3-bromo-N-[[2-[[4-(diphenylmethyl)-1-piperazinyl]-oxomethyl]anilino]-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: N-[[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]carbamothioyl]-3-bromo-4-hexoxybenzamide Traditional Name: N-[[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]thiocarbamoyl]-3-bromo-4-hexoxy-benzamide Formula: C38H41BrN4O3S MolecularWeight: 713.72614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)Br

InChI

InChI=1S/C38H41BrN4O3S/c1-2-3-4-13-26-46-34-21-20-30(27-32(34)39)36(44)41-38(47)40-33-19-12-11-18-31(33)37(45)43-24-22-42(23-25-43)35(28-14-7-5-8-15-28)29-16-9-6-10-17-29/h5-12,14-21,27,35H,2-4,13,22-26H2,1H3,(H2,40,41,44,47)