3-bromanyl-4-(2-methylpropoxy)-N-[4-(phenylmethyl)piperazin-1-yl]carbothioyl-benzamide

Systemtic Name: 3-bromanyl-4-(2-methylpropoxy)-N-[4-(phenylmethyl)piperazin-1-yl]carbothioyl-benzamide Openeye Name: N-(4-benzylpiperazine-1-carbothioyl)-3-bromo-4-isobutoxy-benzamide CAS Name: 3-bromo-4-(2-methylpropoxy)-N-[[4-(phenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: N-(4-benzylpiperazine-1-carbothioyl)-3-bromo-4-(2-methylpropoxy)benzamide Traditional Name: N-(4-benzylpiperazine-1-carbothioyl)-3-bromo-4-isobutoxy-benzamide Formula: C23H28BrN3O2S MolecularWeight: 490.45632

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)C(=O)NC(=S)N2CCN(CC2)CC3=CC=CC=C3)Br

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)C(=O)NC(=S)N2CCN(CC2)CC3=CC=CC=C3)Br

InChI

InChI=1S/C23H28BrN3O2S/c1-17(2)16-29-21-9-8-19(14-20(21)24)22(28)25-23(30)27-12-10-26(11-13-27)15-18-6-4-3-5-7-18/h3-9,14,17H,10-13,15-16H2,1-2H3,(H,25,28,30)