5-bromanyl-2-phenethyloxy-N-[4-(phenylmethyl)piperazin-1-yl]carbothioyl-benzamide

Systemtic Name: 5-bromanyl-2-phenethyloxy-N-[4-(phenylmethyl)piperazin-1-yl]carbothioyl-benzamide Openeye Name: N-(4-benzylpiperazine-1-carbothioyl)-5-bromo-2-phenethyloxy-benzamide CAS Name: 5-bromo-2-phenethyloxy-N-[[4-(phenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: N-(4-benzylpiperazine-1-carbothioyl)-5-bromo-2-phenethyloxybenzamide Traditional Name: N-(4-benzylpiperazine-1-carbothioyl)-5-bromo-2-phenethyloxy-benzamide Formula: C27H28BrN3O2S MolecularWeight: 538.49912

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=S)NC(=O)C3=C(C=CC(=C3)Br)OCCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=S)NC(=O)C3=C(C=CC(=C3)Br)OCCC4=CC=CC=C4

InChI

InChI=1S/C27H28BrN3O2S/c28-23-11-12-25(33-18-13-21-7-3-1-4-8-21)24(19-23)26(32)29-27(34)31-16-14-30(15-17-31)20-22-9-5-2-6-10-22/h1-12,19H,13-18,20H2,(H,29,32,34)