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

Systemtic Name: 5-bromanyl-2-butoxy-N-[4-(phenylmethyl)piperazin-1-yl]carbothioyl-benzamide Openeye Name: N-(4-benzylpiperazine-1-carbothioyl)-5-bromo-2-butoxy-benzamide CAS Name: 5-bromo-2-butoxy-N-[[4-(phenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: N-(4-benzylpiperazine-1-carbothioyl)-5-bromo-2-butoxybenzamide Traditional Name: N-(4-benzylpiperazine-1-carbothioyl)-5-bromo-2-butoxy-benzamide Formula: C23H28BrN3O2S MolecularWeight: 490.45632

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C23H28BrN3O2S/c1-2-3-15-29-21-10-9-19(24)16-20(21)22(28)25-23(30)27-13-11-26(12-14-27)17-18-7-5-4-6-8-18/h4-10,16H,2-3,11-15,17H2,1H3,(H,25,28,30)