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

Systemtic Name: 3-bromanyl-N-[4-(diphenylmethyl)piperazin-1-yl]carbothioyl-4-(2-methoxyethoxy)benzamide Openeye Name: N-(4-benzhydrylpiperazine-1-carbothioyl)-3-bromo-4-(2-methoxyethoxy)benzamide CAS Name: 3-bromo-N-[[4-(diphenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]-4-(2-methoxyethoxy)benzamide IUPAC Name: N-(4-benzhydrylpiperazine-1-carbothioyl)-3-bromo-4-(2-methoxyethoxy)benzamide Traditional Name: N-(4-benzhydrylpiperazine-1-carbothioyl)-3-bromo-4-(2-methoxyethoxy)benzamide Formula: C28H30BrN3O3S MolecularWeight: 568.5251

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=C(C=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)Br

Isomeric SMILES

COCCOC1=C(C=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)Br

InChI

InChI=1S/C28H30BrN3O3S/c1-34-18-19-35-25-13-12-23(20-24(25)29)27(33)30-28(36)32-16-14-31(15-17-32)26(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-13,20,26H,14-19H2,1H3,(H,30,33,36)