5-bromanyl-N-[4-(diphenylmethyl)piperazin-1-yl]carbothioyl-2-hexoxy-benzamide

Systemtic Name: 5-bromanyl-N-[4-(diphenylmethyl)piperazin-1-yl]carbothioyl-2-hexoxy-benzamide Openeye Name: N-(4-benzhydrylpiperazine-1-carbothioyl)-5-bromo-2-hexoxy-benzamide CAS Name: 5-bromo-N-[[4-(diphenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]-2-hexoxybenzamide IUPAC Name: N-(4-benzhydrylpiperazine-1-carbothioyl)-5-bromo-2-hexoxybenzamide Traditional Name: N-(4-benzhydrylpiperazine-1-carbothioyl)-5-bromo-2-hexoxy-benzamide Formula: C31H36BrN3O2S MolecularWeight: 594.60544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C31H36BrN3O2S/c1-2-3-4-11-22-37-28-17-16-26(32)23-27(28)30(36)33-31(38)35-20-18-34(19-21-35)29(24-12-7-5-8-13-24)25-14-9-6-10-15-25/h5-10,12-17,23,29H,2-4,11,18-22H2,1H3,(H,33,36,38)